(E)-3-phenylsulfanylbut-2-en-1-ol

C10H12OS — CID 12685461

IUPAC(E)-3-phenylsulfanylbut-2-en-1-ol
SMILESC/C(=C\CO)Sc1ccccc1
InChIInChI=1S/C10H12OS/c1-9(7-8-11)12-10-5-3-2-4-6-10/h2-7,11H,8H2,1H3/b9-7+
InChIKeyLKIOKQWPUXUIML-VQHVLOKHSA-N
MW180.27 g/mol
LogP2.67
Rot. Bonds3

About (E)-3-phenylsulfanylbut-2-en-1-ol

(E)-3-phenylsulfanylbut-2-en-1-ol (PubChem CID 12685461) has the molecular formula C10H12OS and a molecular weight of 180.27 g/mol. Its IUPAC name is (E)-3-phenylsulfanylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-phenylsulfanylbut-2-en-1-ol
PubChem CID12685461
Molecular FormulaC10H12OS
Molecular Weight180.27 g/mol
Exact Mass180.06
IUPAC Name(E)-3-phenylsulfanylbut-2-en-1-ol
SMILESC/C(=C\CO)Sc1ccccc1
InChIInChI=1S/C10H12OS/c1-9(7-8-11)12-10-5-3-2-4-6-10/h2-7,11H,8H2,1H3/b9-7+
InChIKeyLKIOKQWPUXUIML-VQHVLOKHSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Phenylthio)ethanol
CID 69685
1-(Phenylthio)-2-propanol
CID 99788
Ethanethioic acid, S-phenyl ester
CID 13630
3-(Phenylsulfanyl)propan-1-ol
CID 5155841
2-(4-Fluoro-phenylsulfanyl)-ethanol
CID 2759148
2-(Phenylthio)-2,2-difluoroethanol
CID 51033051
[(2-Ethoxyethyl)sulfanyl]benzene
CID 271506
5-Phenylsulfanylpentan-1-ol
CID 346015
2-Butanol, 1-(phenylthio)-
CID 580222
4-(Phenylsulfanyl)-2-butanol
CID 11019506
(2E)-2-Methyl-4-(phenylthio)-2-buten-1-ol
CID 11159875
Methanol, (phenylthio)-
CID 11194383

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenylsulfanylbut-2-en-1-ol?
The IUPAC name of (E)-3-phenylsulfanylbut-2-en-1-ol (CID 12685461) is (E)-3-phenylsulfanylbut-2-en-1-ol.
What is the SMILES notation for (E)-3-phenylsulfanylbut-2-en-1-ol?
The canonical SMILES for (E)-3-phenylsulfanylbut-2-en-1-ol is C/C(=C\CO)Sc1ccccc1.
What is the InChIKey of (E)-3-phenylsulfanylbut-2-en-1-ol?
The InChIKey is LKIOKQWPUXUIML-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H12OS/c1-9(7-8-11)12-10-5-3-2-4-6-10/h2-7,11H,8H2,1H3/b9-7+.
What are the key properties of (E)-3-phenylsulfanylbut-2-en-1-ol?
(E)-3-phenylsulfanylbut-2-en-1-ol has a molecular weight of 180.27 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenylsulfanylbut-2-en-1-ol is sourced from PubChem (CID 12685461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).