| CAS Number | 136467-31-7 |
| Catalog Number | AG01A8G4 |
| Chemical Name | 6-Propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine |
| IUPAC Name | 6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C10H16N2S/c1-2-3-7-4-5-8-9(6-7)13-10(11)12-8/h7H,2-6H2,1H3,(H2,11,12) |
| InChI Key | JBMJUFXLQKSCQL-UHFFFAOYSA-N |
| MDL Number | MFCD12767516 |
| Molecular Formula | C10H16N2S |
| Molecular Weight | 196.3124 |
| SMILES | CCCC1CC2=C(N=C(S2)N)CC1 |
| Synonyms | 6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine,
136467-31-7,
AC1Q2V4U,
SCHEMBL5810238,
AKOS010139176,
NE24400,
EN300-61531,
CID11820020,
6-propyl-4,5,6,7-tetrahydrobenzothiazol-2-amine,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.312g/mol |
| Monoisotopic Mass | 196.103g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number