| CAS Number | 5617-79-8 |
| Catalog Number | AG00DM32(AGN-PC-0LFXXO) |
| Chemical Name | Cyclopropylmethanethiol |
| IUPAC Name | cyclopropylmethanethiol |
| InChI | InChI=1S/C4H8S/c5-3-4-1-2-4/h4-5H,1-3H2 |
| InChI Key | JDMINEJTNOBFFD-UHFFFAOYSA-N |
| MDL Number | MFCD00051613 |
| Molecular Formula | C4H8S |
| Molecular Weight | 88.1713 |
| SMILES | C1(CC1)CS |
| Synonyms | Cyclopropylmethanethiol,
5617-79-8,
Cyclopropanemethanethiol,
AC1NFSFR,
CTK1F5141,
DTXSID50405768,
ZINC6855089,
CID4713208,
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| Complexity | 30.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 88.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 5 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 88.168g/mol |
| Monoisotopic Mass | 88.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 1A^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
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