Basic information
- CAS
37844-22-7- Standard SMILES
S=c1[nH]nc(Nc2ccccc2Cl)s1- InChIKey
DXNZMIGMBVWIRQ-UHFFFAOYSA-N- Molecular formula
- C8H6ClN3S2
- Average molar mass
- 243.7 g/mol
- Monoisotopic mass
- 242.9691672
Names & identifiers
- Preferred name
- 5-[(2-Chlorophenyl)amino]-1,3,4-thiadiazole-2-thiol
- IUPAC
- 5-(2-chloroanilino)-3H-1,3,4-thiadiazole-2-thione
- English name
- 5-[(2-CHLOROPHENYL)AMINO]-1,3,4-THIADIAZOLE-2-THIOL
- Molecular formula
- C8H6ClN3S2
- Molecular weight
- 243.74
Names & synonyms
37844-22-75-[(2-chlorophenyl)amino]-1,3,4-thiadiazole-2-thiol5-(2-chloroanilino)-3H-1,3,4-thiadiazole-2-thione5-((2-Chlorophenyl)amino)-1,3,4-thiadiazole-2-thiolMLS-0247238.00015-(2-chloroanilino)-1,3,4-thiadiazole-2-thiolMFCD00178429NSC201506Maybridge1_006073MLS001007525cid_696247SCHEMBL8044220
Show more names
1,3,4-Thiadiazole-2(3H)-thione, 5-[(2-chlorophenyl)amino]-
CHEMBL1482621BDBM46617HMS558M01DTXSID30351294HMS2679I16AKOS001074748CCG-249675NSC-201506
Database identifiers
- CAS
37844-22-7- PubChem CID
- 696247
- DTXSID
DTXSID30351294- ChEMBL
CHEMBL1482621
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 269
Experimental & physicochemical properties
Solubility>36.6 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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