Basic information
- CAS
165682-79-1- Standard SMILES
O=C(O)c1csc(NCc2ccccc2)n1- InChIKey
XKFYNYLHAGNTQF-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2S
- Average molar mass
- 234.28 g/mol
- Monoisotopic mass
- 234.04629874
Names & identifiers
- Preferred name
- 2-(benzylamino)-1,3-thiazole-4-carboxylic Acid
- IUPAC
- 2-(benzylamino)-1,3-thiazole-4-carboxylic acid
- English name
- 2-(BENZYLAMINO)-1,3-THIAZOLE-4-CARBOXYLIC ACID
- Molecular formula
- C11H10N2O2S
- Molecular weight
- 234.27
Names & synonyms
2-(benzylamino)-1,3-thiazole-4-carboxylic Acid165682-79-12-(Benzylamino)thiazole-4-carboxylic acidMFCD066551054-thiazolecarboxylic acid, 2-[(phenylmethyl)amino]-2-(Benzylimino)-2,3-dihydrothiazole-4-carboxylic acid2-[benzylamino]-1,3-thiazole-4-carboxylic acidSCHEMBL525660DTXSID901234140ALBB-028581SBB098258AKOS005072731
Show more names
2-(phenylmethylamino)thiazole-4-carboxylic acid2-(phenylmethylamino)-4-thiazolecarboxylic acid2-(phenylmethylamino)-1,3-thiazole-4-carboxylic acid
GA-0732WAY-6528052-(Benzylamino)thiazole-4-carboxylicacidFB135717CS-0447788EN300-304881H441142-[(Phenylmethyl)amino]-4-thiazolecarboxylic acid
Database identifiers
- CAS
165682-79-1- PubChem CID
- 3752995
- DTXSID
DTXSID901234140
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Boiling point
- 460.7 · 460.7±47.0 °C(Predicted)
- Density
- 1.421 · 1.421±0.06 g/cm3(Predicted)
- pka
- 1.23 · 1.23±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P312
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2934100090 · 2934100090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934100090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P312
Chemistry & industry
Suppliers4 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州探索化学有限公司15295164949 · [email protected]
常州探索化学有限公司+8615295164949 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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