N-Cyano-N'-(4-nitrophenyl)thiourea

HCID 14569042
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Basic information

CAS
127779-17-3
Standard SMILES
N#CNC(=S)Nc1ccc([N+](=O)[O-])cc1
InChIKey
PVIKCPCKSSSIBU-UHFFFAOYSA-N
Molecular formula
C8H6N4O2S
Average molar mass
222.23 g/mol
Monoisotopic mass
222.02114662

Names & identifiers

Preferred name
N-Cyano-N'-(4-nitrophenyl)thiourea
IUPAC
1-cyano-3-(4-nitrophenyl)thiourea

Names & synonyms

127779-17-3N-Cyano-N'-(4-nitrophenyl)thioureaSCHEMBL8983488DTXSID00561742N-Cyano-N'-4-nitrophenylthioureaPVIKCPCKSSSIBU-UHFFFAOYSA-N

Database identifiers

CAS
127779-17-3
PubChem CID
14569042
DTXSID
DTXSID00561742

Properties

Computed structural properties

XLogP
2
Topological polar surface area
126 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
15

Related reactions

2 records
New reaction record

Compound notes

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