| CAS Number | 959241-50-0 |
| Catalog Number | AG00J1VT(AGN-PC-0WB42A) |
| Chemical Name | [(Cyclopropylmethyl)thio]acetic acid |
| IUPAC Name | 2-(cyclopropylmethylsulfanyl)acetic acid |
| InChI | InChI=1S/C6H10O2S/c7-6(8)4-9-3-5-1-2-5/h5H,1-4H2,(H,7,8) |
| InChI Key | CFMSTLLOVSMZMI-UHFFFAOYSA-N |
| MDL Number | MFCD09864608 |
| Molecular Formula | C6H10O2S |
| Molecular Weight | 146.2074 |
| SMILES | C1C(C1)CSCC(O)=O |
| Synonyms | [(cyclopropylmethyl)thio]acetic acid,
959241-50-0,
[(cyclopropylmethyl)sulfanyl]acetic acid,
DTXSID90649220,
ALBB-004308,
4499AF,
MFCD09864608,
STK503093,
ZINC19092986,
AKOS005171343,
2-((Cyclopropylmethyl)thio)acetic acid,
AB0154513,
FT-0678999,
Y-5913,
I04-4353,
[ thio]aceticacid,
C6H10O2S,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.204g/mol |
| Monoisotopic Mass | 146.04g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number