Mls003107275

Substructure search Find similar structures

Basic information

CAS: 2039-13-6
Standard SMILES: O=C(Nc1cnns1)Oc1ccccc1
InChIKey: ALLQHEFPIVLZCH-UHFFFAOYSA-N
Molecular formula: C9H7N3O2S
Average molar mass: 221.24 g/mol
Monoisotopic mass: 221.02589765

Names & identifiers

Preferred name: Mls003107275
IUPAC: phenyl N-(thiadiazol-5-yl)carbamate

Names & synonyms

MLS0031072752039-13-6DTXSID80313185RefChem:357288DTXCID20264309phenyl N-(thiadiazol-5-yl)carbamateNSC267218phenyl 1,2,3-thiadiazol-5-ylcarbamateSCHEMBL11336495ALLQHEFPIVLZCH-UHFFFAOYSA-NNSC-2672185-phenoxycarbonylamino-1,2,3-thiadiazole

Show more names

SMR001822148

Database identifiers

CAS: 2039-13-6
PubChem CID: 320280
DTXSID: DTXSID80313185

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 92.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 221

Related reactions

3 records

New reaction record

HRID 66048As reactantuspto-grants-1978_12

HRID 205531As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 261001As reactantuspto-grants-1979_08

Compound notes

Loading…