Basic information
- CAS
27182-54-3- Standard SMILES
Nc1nsc(-c2ccccc2)n1- InChIKey
WOZDQVLZCXNJPY-UHFFFAOYSA-N- Molecular formula
- C8H7N3S
- Average molar mass
- 177.23 g/mol
- Monoisotopic mass
- 177.03606841
Names & identifiers
- Preferred name
- 5-Phenyl-1,2,4-thiadiazol-3-amine
- IUPAC
- 5-phenyl-1,2,4-thiadiazol-3-amine
- English name
- 5-Phenyl-1,2,4-thiadiazol-3-amine
- Molecular formula
- C8H7N3S
- Molecular weight
- 177.23
Names & synonyms
5-Phenyl-1,2,4-thiadiazol-3-amineRefChem:537646833-905-127182-54-33-Amino-5-phenyl-1,2,4-thiadiazoleMFCD001597991,2,4-Thiadiazol-3-amine, 5-phenyl-CHEMBL5193006SCHEMBL1135524DTXSID00949925WOZDQVLZCXNJPY-UHFFFAOYSA-NBDBM50595371
Show more names
3-Amino-5-phenyl-1,2,4-thiadiazole,96%
AKOS000813765SDCCGMLS-0066178.P0015-Phenyl-1,2,4-thiadiazol-3-amine #1,2,4-Thiadiazole, 3-amino-5-phenyl-AS-61604SY0428125-Phenyl-1,2,4-thiadiazol-3(2H)-imineDB-015508
Database identifiers
- CAS
27182-54-3- PubChem CID
- 554203
- DTXSID
DTXSID00949925- ChEMBL
CHEMBL5193006- EC Number
- 833-905-1
- Nikkaji
- J2.815.667G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Melting point
- 136 °C · 136 °C
- Boiling point
- 359 · 359.0±25.0 °C(Predicted)
- Density
- 1.333 · 1.333±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 1.48 · 1.48±0.11(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36
- Safety Statements
- 26 · 26
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 22-36
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn
- safety_code
- 26
- Hazard statements
- H301-H315-H319-H335
- Precautionary statements
- P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers21 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海宣月科技有限公司15216675652 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海皓骏医药科技有限公司021-34621078 13120882795 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海思言生物科技有限公司021-50908862，442785678，326799392 18721037013 · [email protected]
上海康曼生物科技有限公司18800375331 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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