| CAS Number | 85347-12-2 |
| Catalog Number | AG00IXOU(AGN-PC-003NHW) |
| Chemical Name | 5-Chlorothiophene-2-carbothioamide |
| IUPAC Name | 5-chlorothiophene-2-carbothioamide |
| InChI | InChI=1S/C5H4ClNS2/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H2,7,8) |
| InChI Key | MLOPLHLFVKWWEM-UHFFFAOYSA-N |
| MDL Number | MFCD11179446 |
| Molecular Formula | C5H4ClNS2 |
| Molecular Weight | 177.6750 |
| SMILES | NC(C1SC(Cl)=CC=1)=S |
| Synonyms | 5-chlorothiophene-2-carbothioamide,
85347-12-2,
2-Thiophenecarbothioamide, 5-chloro-,
AC1Q4ZZ4,
SCHEMBL3959879,
CTK7D3827,
KS-00001U1X,
MFCD11179446,
ZINC34462314,
AKOS009311702,
MCULE-5424388383,
NE20687,
EN300-52036,
1T-0807,
2-Thiophenecarbothioamide,5-chloro-,
|
| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.664g/mol |
| Monoisotopic Mass | 176.947g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 86.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number