| CAS Number | 24536-40-1 |
| Catalog Number | AG00BJTH(AGN-PC-0LNKRB) |
| Chemical Name | 3-(Phenylsulfanyl)propan-1-ol |
| IUPAC Name | 3-phenylsulfanylpropan-1-ol |
| InChI | InChI=1S/C9H12OS/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2 |
| InChI Key | FVEHGQLDHXJKER-UHFFFAOYSA-N |
| MDL Number | MFCD00091592 |
| Molecular Formula | C9H12OS |
| Molecular Weight | 168.2560 |
| SMILES | OCCCSC1=CC=CC=C1 |
| Synonyms | 3-(phenylsulfanyl)propan-1-ol,
24536-40-1,
3-(PHENYLTHIO)PROPANOL,
3-phenylsulfanylpropan-1-ol,
3-phenylthiopropanol,
3-phenylthiopropan-1-ol,
AC1NPC0A,
3-Phenylthio-1-propanol,
AC1Q7CV7,
3-(Phenylthio)-1-propanol,
SCHEMBL95857,
3-phenylsulfanyl-propan-1-ol,
3-(phenylsulfanyl)-1-propanol,
FVEHGQLDHXJKER-UHFFFAOYSA-N,
ZINC2172931,
AKOS009030829,
MCULE-6438909241,
NE11222,
A1-00899,
Z104650330,
CID5155841,
|
| Complexity | 89.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.254g/mol |
| Monoisotopic Mass | 168.061g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number