Basic information
- CAS
14030-85-4- Standard SMILES
N#CSc1cc(Cl)c(N)c(Cl)c1- InChIKey
VJUNBEHHFKUMHW-UHFFFAOYSA-N- Molecular formula
- C7H4Cl2N2S
- Average molar mass
- 219.09 g/mol
- Monoisotopic mass
- 217.9472247
Names & identifiers
- Preferred name
- Aniline, 2,6-dichloro-4-thiocyanato-
- IUPAC
- (4-amino-3,5-dichlorophenyl) thiocyanate
- English name
- 4-Amino-3,5-dichlorophenyl thiocyanate
- Molecular weight
- 0
Names & synonyms
2,6-Dichloro-4-thiocyanatoaniline14030-85-4ANILINE, 2,6-DICHLORO-4-THIOCYANATO-BRN 2806377DTXSID40161306RefChem:319582DTXCID60837974-Amino-3,5-dichlorophenyl thiocyanate(4-amino-3,5-dichlorophenyl) thiocyanateSCHEMBL10414212Thiocyanic acid, 4-amino-3,5-dichlorophenyl ester
Database identifiers
- CAS
14030-85-4- PubChem CID
- 26413
- DTXSID
DTXSID40161306- Nikkaji
- J55.218F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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