Basic information
- CAS
344254-29-1- Standard SMILES
S=C(Nc1cccc(Cl)c1)Nc1ccccn1- InChIKey
KJWFTVWWEOPVBZ-UHFFFAOYSA-N- Molecular formula
- C12H10ClN3S
- Average molar mass
- 263.75 g/mol
- Monoisotopic mass
- 263.0283962
Names & identifiers
- Preferred name
- 1-(3-Chlorophenyl)-3-pyridin-2-ylthiourea
- IUPAC
- 1-(3-chlorophenyl)-3-pyridin-2-ylthiourea
Names & synonyms
NSC695053N-(3-Chlorophenyl)-N'-(2-pyridinyl)thiourea1-(3-chlorophenyl)-3-pyridin-2-ylthiourea344254-29-1CHEMBL1976018DTXSID60388275STK489894AKOS003262013NSC-695053NCI60_0340281-(3-chlorophenyl)-3-(2-pyridyl)thioureaST50929518
Show more names
N-(3-Chlorophenyl)-N'-(pyridin-2-yl)thiourea[(3-chlorophenyl)amino](2-pyridylamino)methane-1-thione
Database identifiers
- CAS
344254-29-1- PubChem CID
- 3005366
- DTXSID
DTXSID60388275- ChEMBL
CHEMBL1976018- Nikkaji
- J1.829.829E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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