Basic information
- CAS
154321-60-5- Standard SMILES
Nc1nccc(-c2cccs2)n1- InChIKey
IXOUSLAWDHODKH-UHFFFAOYSA-N- Molecular formula
- C8H7N3S
- Average molar mass
- 177.23 g/mol
- Monoisotopic mass
- 177.03606822
Names & identifiers
- Preferred name
- 4-(Thiophen-2-yl)pyrimidin-2-amine
- IUPAC
- 4-thiophen-2-ylpyrimidin-2-amine
- English name
- 4-(2-Thienyl)-2-pyrimidinamine
- Molecular formula
- C8H7N3S
- Molecular weight
- 177.23
Names & synonyms
154321-60-54-(thiophen-2-yl)pyrimidin-2-amine4-(2-thienyl)-2-pyrimidinamine4-thiophen-2-ylpyrimidin-2-amine2-amino-4-(thien-2-yl)pyrimidineMFCD030012974-Thiophen-2-yl-pyrimidin-2-ylamine4-(2-thienyl)pyrimidin-2-amine2-Pyrimidinamine, 4-(2-thienyl)-2-AMINE-4-(THIOPHEN-2-YL)-PYRIMIDINEMLS000763952SCHEMBL623986
Show more names
4-(Thiophen-2-yl)BUTTPARK 41\09-714-THIEN-2-YLPYRIMIDIN-2-AMINE4-(2-thienyl)-2-pyrimidinylamine
(2-thienyl)pyrimidin-2-amine(2-thienyl) pyrimidin-2-amineCHEMBL1458783DTXSID50377431IXOUSLAWDHODKH-UHFFFAOYSA-NHMS2711F124-(2-thienyl)pyrimidine-2-ylamineALBB-015566
Database identifiers
- CAS
154321-60-5- PubChem CID
- 2764407
- DTXSID
DTXSID50377431- ChEMBL
CHEMBL1458783- EC Number
- 175-701-9
- Nikkaji
- J931.765A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Experimental & physicochemical properties
LogP1.75
Solubility>26.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 187 · 187-190°C
- Boiling point
- 409.8 · 409.8±37.0 °C(Predicted)
- Density
- 1.333 · 1.333±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.95 · 3.95±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-41
- Safety Statements
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
- hs_code
- 2933599590
- risk_code
- 36/37/38-41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers13 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
西安瑞芬达生物技术有限公司19929974101 //1144079830; 19929974101 · [email protected]
郑州艾克姆化工有限公司037163312495 13303845143 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
恒晟久和（山东）生物医药科技有限公司18766988138
Related reactions
9 records
Compound notes
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