| CAS Number | 889942-40-9 |
| Catalog Number | AG00440C(AGN-PC-0VOBK3) |
| Chemical Name | 4-Benzyl-5H-thiazole-2-thione |
| IUPAC Name | 4-benzyl-5H-1,3-thiazole-2-thione |
| InChI | InChI=1S/C10H9NS2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChI Key | IWBSEFOGZJBCGR-UHFFFAOYSA-N |
| MDL Number | MFCD08061189 |
| Molecular Formula | C10H9NS2 |
| Molecular Weight | 207.3152 |
| SMILES | S=C1SCC(CC2=CC=CC=C2)=N1 |
| Synonyms | 889942-40-9,
4-Benzyl-5H-thiazole-2-thione,
4-Benzylthiazole-2(5H)-thione,
SCHEMBL8726368,
CTK5G2096,
DTXSID10649641,
MFCD08061189,
ZINC12648968,
4-(phenylmethyl)-5H-thiazole-2-thione,
4-Benzyl-1,3-thiazole-2(5H)-thione,
2(5H)-Thiazolethione,4-(phenylmethyl)-,
AS-37015,
AX8037932,
4-(phenylmethyl)-5H-1,3-thiazole-2-thione,
A-2419,
A843033,
S14-2181,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.309g/mol |
| Monoisotopic Mass | 207.018g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number