| CAS Number | 834861-72-2 |
| Catalog Number | AG004V9J(AGN-PC-0UOKF2) |
| Chemical Name | 2-(3-Chlorophenyl)ethanethioamide |
| IUPAC Name | 2-(3-chlorophenyl)ethanethioamide |
| InChI | InChI=1S/C8H8ClNS/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H2,10,11) |
| InChI Key | BEUTYXNSDJJDMU-UHFFFAOYSA-N |
| MDL Number | MFCD09757538 |
| Molecular Formula | C8H8ClNS |
| Molecular Weight | 185.6738 |
| SMILES | NC(CC1=CC(Cl)=CC=C1)=S |
| Synonyms | 834861-72-2,
2-(3-chlorophenyl)ethanethioamide,
2-(3-CHLOROPHENYL)THIOACETAMIDE,
Benzeneethanethioamide,3-chloro-,
(3-Chlorophenyl)ethanethioamide,
AC1Q500L,
SCHEMBL14109063,
CTK5F0734,
DTXSID00602629,
ZINC6666510,
MFCD09757538,
AKOS000153897,
NE14417,
DB-019189,
FT-0760566,
EN300-35655,
2- THIOACETAMIDE,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.669g/mol |
| Monoisotopic Mass | 185.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H301
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Packing Group
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Precautionary statements
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P264-P270-P301+P310a-P321-P405-P501a
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UN Code
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Certificate of Analysis
Lot Number