Basic information
- CAS
315241-39-5- Standard SMILES
Nc1ncc(Cc2ccc(F)cc2)s1- InChIKey
KIZWUMGELVDUQL-UHFFFAOYSA-N- Molecular formula
- C10H9FN2S
- Average molar mass
- 208.26 g/mol
- Monoisotopic mass
- 208.04704751
Names & identifiers
- Preferred name
- 5-(4-Fluoro-benzyl)-thiazol-2-ylamine
- IUPAC
- 5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine
- English name
- 5-(4-FLUORO-BENZYL)-THIAZOL-2-YLAMINE
- Molecular formula
- C10H9FN2S
- Molecular weight
- 208.26
Names & synonyms
315241-39-55-(4-Fluoro-benzyl)-thiazol-2-ylamine5-(4-Fluorobenzyl)thiazol-2-amine5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amineMFCD02214714F0862-01265-[(4-fluorophenyl)methyl]-1,3-thiazole-2-ylamineTIMTEC-BB SBB011205CBMicro_030631Oprea1_123680Oprea1_445782SCHEMBL963712
Show more names
2-Thiazolamine, 5-[(4-fluorophenyl)methyl]-
DTXSID30953510KIZWUMGELVDUQL-UHFFFAOYSA-NSMSSF-0061729SBB011205AKOS000122218WAY-118102ST070512BIM-0030575.P001
Database identifiers
- CAS
315241-39-5- PubChem CID
- 703479
- DTXSID
DTXSID30953510
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 135 · 135-136 °C(Solv: chloroform (67-66-3); carbon tetrachloride (56-23-5))
- Boiling point
- 354.2 · 354.2±22.0 °C(Predicted)
- Density
- 1.317 · 1.317±0.06 g/cm3(Predicted)
- pka
- 5.07 · 5.07±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 280 · P280
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2934100090 · 2934100090
Safety & regulation
Safety data
- hs_code
- 2934100090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P280
Chemistry & industry
Suppliers12 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海合必成医药科技有限公司19564164886 13701791899 · [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]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
上海百韧生物科技有限公司13564638271 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
2 records
Compound notes
Loading…