| CAS Number | 1030420-69-9 |
| Catalog Number | AG01A0EO(AGN-PC-0WOCE9) |
| Chemical Name | 2-[(Cyclopropylmethyl)sulfanyl]ethan-1-amine |
| IUPAC Name | 2-(cyclopropylmethylsulfanyl)ethanamine |
| InChI | InChI=1S/C6H13NS/c7-3-4-8-5-6-1-2-6/h6H,1-5,7H2 |
| InChI Key | ULJGPGFHLWANKI-UHFFFAOYSA-N |
| MDL Number | MFCD12138860 |
| Molecular Formula | C6H13NS |
| Molecular Weight | 131.2391 |
| SMILES | NCCSCC1CC1 |
| Synonyms | 2-[(cyclopropylmethyl)sulfanyl]ethan-1-amine,
1030420-69-9,
SCHEMBL16458902,
ULJGPGFHLWANKI-UHFFFAOYSA-N,
ZINC20160270,
2-[(cyclopropylmethyl)thio]ethanamine,
AKOS009591011,
MCULE-5143437882,
NE52234,
A1-06076,
Z1431905698,
|
| Complexity | 61.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 131.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 131.237g/mol |
| Monoisotopic Mass | 131.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number