| CAS Number | 31787-50-5 |
| Catalog Number | AG01A3HT(AGN-PC-0WOBC5) |
| Chemical Name | 2-Oxopropanethioamide |
| IUPAC Name | 2-oxopropanethioamide |
| InChI | InChI=1S/C3H5NOS/c1-2(5)3(4)6/h1H3,(H2,4,6) |
| InChI Key | CUDPUYMADCMXBY-UHFFFAOYSA-N |
| MDL Number | MFCD19206043 |
| Molecular Formula | C3H5NOS |
| Molecular Weight | 103.1429 |
| SMILES | CC(C(N)=S)=O |
| Synonyms | 2-oxopropanethioamide,
31787-50-5,
oxopropanethioamide,
SCHEMBL931791,
SCHEMBL14620634,
CUDPUYMADCMXBY-UHFFFAOYSA-N,
MFCD19206043,
ZINC88189482,
AKOS006338691,
NE20154,
BS-12673,
CS-0047258,
F8881-3127,
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| Complexity | 88.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 103.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 103.139g/mol |
| Monoisotopic Mass | 103.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number