| CAS Number | 42302-16-9 |
| Catalog Number | AG00CLI6(AGN-PC-0WA5FC) |
| Chemical Name | 2-(Pyrrolidin-1-yl)ethane-1-thiol |
| IUPAC Name | 2-pyrrolidin-1-ylethanethiol |
| InChI | InChI=1S/C6H13NS/c8-6-5-7-3-1-2-4-7/h8H,1-6H2 |
| InChI Key | FJOXVWJOCNVDDI-UHFFFAOYSA-N |
| MDL Number | MFCD11190758 |
| Molecular Formula | C6H13NS |
| Molecular Weight | 131.2391 |
| SMILES | SCCN1CCCC1 |
| Synonyms | 2-(pyrrolidin-1-yl)ethanethiol,
2-(pyrrolidin-1-yl)ethane-1-thiol,
42302-16-9,
2-Pyrrolizinoethanethiol,
AC1Q7GQ0,
2-pyrrolidinylethane-1-thiol,
2-Pyrrolidin-1-yl-ethanethiol,
1-(2-mercaptoethyl)pyrrolidine,
SCHEMBL1346805,
CTK4I6008,
DTXSID80611153,
FJOXVWJOCNVDDI-UHFFFAOYSA-N,
SBB077064,
ZINC20437218,
AKOS005136470,
MCULE-6946048852,
NE32782,
NS-01052,
AM20100120,
FT-0704366,
EN300-52059,
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| Complexity | 59.5 |
| 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 | 2 |
| Topological Polar Surface Area | 4.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number