Basic information
- CAS
98022-43-6- Standard SMILES
COc1nsc(N)n1- InChIKey
OJCCUUWVUOCZAA-UHFFFAOYSA-N- Molecular formula
- C3H5N3OS
- Average molar mass
- 131.16 g/mol
- Monoisotopic mass
- 131.01533278
Names & identifiers
- Preferred name
- 5-Amino-3-methoxy-1,2,4-thiadiazole
- IUPAC
- 3-methoxy-1,2,4-thiadiazol-5-amine
- English name
- 5-Amino-3-methoxy-1,2,4-thiadiazole
- Molecular formula
- C3H5N3OS
- Molecular weight
- 131.16
Names & synonyms
98022-43-65-Amino-3-methoxy-1,2,4-thiadiazoleDTXSID10310728RefChem:301015DTXCID802618543-methoxy-1,2,4-thiadiazol-5-amineMFCD03093825NSC2314265-amino-3-methoxy-[1,2,4]thiadiazole1,2,4-Thiadiazol-5-amine, 3-methoxy-SCHEMBL998696TIMTEC-BB SBB005490
Show more names
OJCCUUWVUOCZAA-UHFFFAOYSA-NAKOS0062772245-Amino-3-methoxy-1,2,4-thiadiazoLNSC-2314261,2,4-Thiadiazol-5-amine,3-methoxy-SY238454TS-00021CS-0107200
Database identifiers
- CAS
98022-43-6- PubChem CID
- 314179
- DTXSID
DTXSID10310728- EC Number
- 671-377-2
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80.9
Physicochemical properties
- Melting point
- 172 °C · 172 °C
- Boiling point
- 254 · 254.0±23.0 °C(Predicted)
- Density
- 1.431 · 1.431±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- form
- solid
- pka
- 2.21 · 2.21±0.50(Predicted)
- Appearance
- White to off-white Solid
- InChI
- 1S/C3H5N3OS/c1-7-3-5-2(4)8-6-3/h1H3,(H2,4,5,6)
- InChIKey
- OJCCUUWVUOCZAA-UHFFFAOYSA-N
- SMILES
- NC1=NC(OC)=NS1
- UNSPSC Code
- 12352116 · 12352116
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
- WGK Germany
- 3 · WGK 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H410
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers40 total
陕西科贝莱药物研发有限公司13119135307 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
寿光市兴海化工有限公司15666881566 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
Shanghai zaiqi biology technology co., ltd+86-21-54824098 13817598959 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
苏州键合化学试剂有限公司0512-69561983 13914027025 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
上海伯韵医药科技有限公司
Related reactions
10 records
Compound notes
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