| CAS Number | 4740-00-5 |
| Catalog Number | AG00D8VA(AGN-PC-0C50QD) |
| Chemical Name | 3-METHYLTETRAHYDROTHIOPHENE |
| IUPAC Name | 3-methylthiolane |
| InChI | InChI=1S/C5H10S/c1-5-2-3-6-4-5/h5H,2-4H2,1H3 |
| InChI Key | DLABLFPCTXRQMY-UHFFFAOYSA-N |
| MDL Number | MFCD01839340 |
| Molecular Formula | C5H10S |
| Molecular Weight | 102.1979 |
| SMILES | CC1CCSC1 |
| Synonyms | 3-Methylthiolane,
3-Methyltetrahydrothiophene,
4740-00-5,
Thiophene, tetrahydro-3-methyl-,
3-methyl tetrahydrothiophene,
Tetrahydro-3-methylthiophene,
3-Methylthiacyclopentane,
3-methyl-tetrahydrothiophene,
AC1L3CL1,
SCHEMBL193257,
DLABLFPCTXRQMY-UHFFFAOYSA-N,
MFCD01839340,
AKOS006276547,
AS-39225,
SC-25823,
FT-0692243,
740M005,
A827214,
CID138337,
|
| Complexity | 43.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 102.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 102.195g/mol |
| Monoisotopic Mass | 102.05g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number