| CAS Number | 38518-31-9 |
| Catalog Number | AG00D3L8(AGN-PC-0RGQW7) |
| Chemical Name | Thiolan-2-ylmethanol |
| IUPAC Name | thiolan-2-ylmethanol |
| InChI | InChI=1S/C5H10OS/c6-4-5-2-1-3-7-5/h5-6H,1-4H2 |
| InChI Key | CCWMXACNCKOLEO-UHFFFAOYSA-N |
| MDL Number | MFCD19668130 |
| Molecular Formula | C5H10OS |
| Molecular Weight | 118.1973 |
| SMILES | OCC1SCCC1 |
| Synonyms | thiolan-2-ylmethanol,
38518-31-9,
(thiolan-2-yl)methanol,
2-Thiophenemethanol, tetrahydro-,
SCHEMBL728127,
TETRAHYDRO-2-THIOPHENEMETHANOL,
AKOS008154027,
MCULE-6106081414,
NE61557,
Z1278583570,
2-Thiophenemethanol,tetrahydro-,
|
| Complexity | 56 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 118.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 118.194g/mol |
| Monoisotopic Mass | 118.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number