Basic information
- CAS
36894-61-8- Standard SMILES
CC(=O)Nc1ccc2scnc2c1- InChIKey
HXMDFSDFQBOIKG-UHFFFAOYSA-N- Molecular formula
- C9H8N2OS
- Average molar mass
- 192.24 g/mol
- Monoisotopic mass
- 192.03573406
Names & identifiers
- Preferred name
- N-(1,3-Benzothiazol-5-yl)acetamide
- IUPAC
- N-(1,3-benzothiazol-5-yl)acetamide
- English name
- Acetamide, N-5-benzothiazolyl- (9CI)
- Molecular formula
- C9H8N2OS
- Molecular weight
- 192.24
Names & synonyms
36894-61-8N-(1,3-Benzothiazol-5-yl)acetamideAcetamide, N-5-benzothiazolyl- (9CI)N-(benzo[d]thiazol-5-yl)acetamideN-5-BenzothiazolylacetamideF2806-01425-AcetylaminobenzothiazoleNSC1419915-AcetamidobenzothiazoleSCHEMBL2335759SCHEMBL10821036DTXSID40301245
Show more names
5-(Acetylamino)benzothiazoleN-(5-Benzothiazolyl)acetamideAcetaMide,N-5-benzothiazolyl-
SMSSF-0022348MFCD03081784AKOS024468740NSC-141991N-(1,3-Benzothiazol-5-yl)acetamide #VU0500285-1G78571AN-970/40920531
Database identifiers
- CAS
36894-61-8- PubChem CID
- 285205
- DTXSID
DTXSID40301245- Nikkaji
- J89.135E
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Melting point
- 191 · 191-192 °C
- Boiling point
- 432 · 432.0±18.0 °C(Predicted)
- Density
- 1.379 · 1.379±0.06 g/cm3(Predicted)
- pka
- 13.62 · 13.62±0.43(Predicted)
Chemistry & industry
Suppliers3 total
上海敏寒医药科技有限公司17612188245 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Related reactions
2 records
Compound notes
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