Phenyl 1,3,4-thiadiazol-2-ylcarbamate
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Basic information
- CAS
26907-41-5- Standard SMILES
O=C(Nc1nncs1)Oc1ccccc1- InChIKey
NSXBMBIDWCWNTB-UHFFFAOYSA-N- Molecular formula
- C9H7N3O2S
- Average molar mass
- 221.24 g/mol
- Monoisotopic mass
- 221.02589765
Names & identifiers
- Preferred name
- Phenyl 1,3,4-thiadiazol-2-ylcarbamate
- IUPAC
- phenyl N-(1,3,4-thiadiazol-2-yl)carbamate
- English name
- CarbaMic acid, (4-broMophenyl)-, phenyl ester
- Molecular formula
- C9H7N3O2S
- Molecular weight
- 221.24
Names & synonyms
phenyl 1,3,4-thiadiazol-2-ylcarbamate26907-41-5phenyl N-(1,3,4-thiadiazol-2-yl)carbamatePhenyl (1,3,4-thiadiazol-2-yl)carbamate[1,3,4]Thiadiazol-5-yl-carbamic acid phenyl esterSMR000070731MLS000061872SCHEMBL2160439CHEMBL1333448NSXBMBIDWCWNTB-UHFFFAOYSA-NHMS1690K18HMS2346J23
Show more names
CarbaMic acid, (4-broMophenyl)-, phenyl esterCarbamic acid, N-1,3,4-thiadiazol-2-yl-, phenyl ester
AKOS000594433phenyl1,3,4-thiadiazol-2-ylcarbamateCCG-108231SDCCGMLS-0023511.P002DA-42971CS-0328175ST50260754AG-690/15438135
Database identifiers
- CAS
26907-41-5- PubChem CID
- 875112
- ChEMBL
CHEMBL1333448
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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