| CAS Number | 72662-56-7 |
| Catalog Number | AG0062U5(AGN-PC-0NJ942) |
| Chemical Name | Thiomorpholine-4-carbothioamide |
| IUPAC Name | thiomorpholine-4-carbothioamide |
| InChI | InChI=1S/C5H10N2S2/c6-5(8)7-1-3-9-4-2-7/h1-4H2,(H2,6,8) |
| InChI Key | NQJOIDMZFJQNNK-UHFFFAOYSA-N |
| MDL Number | MFCD11172199 |
| Molecular Formula | C5H10N2S2 |
| Molecular Weight | 162.2763 |
| SMILES | NC(N1CCSCC1)=S |
| Synonyms | thiomorpholine-4-carbothioamide,
72662-56-7,
4-THIOMORPHOLINECARBOTHIOAMIDE,
4-Thiocarbamoyl-thiomorpholin,
SCHEMBL1127327,
thiomorpholine-4-thiocarboxamide,
CTK2H5812,
DTXSID90501096,
NQJOIDMZFJQNNK-UHFFFAOYSA-N,
AC1Q5028,
ZINC20257212,
AKOS009210986,
NE37652,
EN300-60804,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.269g/mol |
| Monoisotopic Mass | 162.029g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 86.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number