Basic information
- CAS
108-33-8- Standard SMILES
Cc1nnc(N)s1- InChIKey
HMPUHXCGUHDVBI-UHFFFAOYSA-N- Molecular formula
- C3H5N3S
- Average molar mass
- 115.16 g/mol
- Monoisotopic mass
- 115.02041835
Names & identifiers
- Preferred name
- 1,3,4-Thiadiazole, 2-amino-5-methyl-
- IUPAC
- 5-methyl-1,3,4-thiadiazol-2-amine
- English name
- 2-Amino-5-methyl-1,3,4-thiadiazole
- Molecular formula
- C3H5N3S
- Molecular weight
- 115.16
Names & synonyms
2-Amino-5-methyl-1,3,4-thiadiazole5-Methyl-1,3,4-thiadiazol-2-amine1,3,4-Thiadiazol-2-amine, 5-methyl-2-Amino-5-methylthiadiazoleUSAF CY-31,3,4-Thiadiazole, 2-amino-5-methyl-5-Methyl-1,3,4-thiadiazole-2-amine5-Methyl-1,3,4-thiadiazol-2-ylamineEINECS 203-573-71,4-Thiadiazol-2-amine, 5-methyl-AI3-611632-Methyl-5-amino-1,3,4-thiadiazole
Show more names
usafcy-3TOSLAB 27625AKOS BBS-00007966VITAS-BB TBB000116TIMTEC-BB SBB0000454-thiadiazol-2-amine,5-methyl-34-thiadiazole,2-amino-5-methyl-3
NSC 137228DTXSID70148347RefChem:412399DTXCID30708381,3,4-Thiadiazol-2-amine, 5-methyl-(9CI)203-573-7108-33-8MATD
Database identifiers
- CAS
108-33-8- PubChem CID
- 66949
- DTXSID
DTXSID70148347- ChEMBL
CHEMBL1288960- ChEBI
CHEBI:194873- UNII
- NC799929EM
- EC Number
- 203-573-7
- Nikkaji
- J38.372D
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 67
Experimental & physicochemical properties
Solubility>17.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 223 · 223-228 °C
- Boiling point
- 261.2 · 261.2±23.0 °C(Predicted)
- Density
- 1.287 · 1.287 (estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Sparingly), Methanol (Slightly)
- form
- solid
- pka
- 3.84 · 3.84±0.10(Predicted)
- color
- Off-White
- InChI
- InChI=1S/C3H5N3S/c1-2-5-6-3(4)7-2/h1H3,(H2,4,6)
- InChIKey
- HMPUHXCGUHDVBI-UHFFFAOYSA-N
- SMILES
- S1C(C)=NN=C1N
- CAS DataBase Reference
- 108 · 108-33-8(CAS DataBase Reference)
- FDA UNII
- 799929 EM · NC799929EM
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 24 · 24/25-37/39-26
- WGK Germany
- 3 · 3
- RTECS
- 3500000 · XI3500000
- Hazard Note
- Irritant
- HS Code
- 29349990 · 29349990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- XI3500000
- hs_code
- 29349990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 24/25-37/39-26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-Amino-5-methyl-1,3,4-thiadiazole was used as a reagent in the synthesis of substituted 5H-benzo[i][1,3,4]thiadiazolo[3,2-a]quinazoline-6,7-diones which diplayed good cytotoxic activities. Also used in the design of new phenothiazine-thiadiazole hybrids for development of antitubercular agents.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
越林试剂021-62960152 · [email protected]
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上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
天津奥立非医药技术有限公司18202662021 18522876413 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
天津安浩生物科技有限公司[email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
维宗晨医药服务（上海）有限公司021 6089 3288 18163855446
池州凯隆进出口贸易有限公司[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
重庆奥舍生物化工有限公司023-63225655 13320248848 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
Additional notes
DefinitionChEBI: 5-Methyl-1,3,4-thiadiazol-2-amine is a member of thiadiazoles.
Related reactions
74 records
Compound notes
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