(Z)-3-methyl-4-phenylsulfanylbut-2-en-1-ol

C11H14OS — CID 13380387

IUPAC(Z)-3-methyl-4-phenylsulfanylbut-2-en-1-ol
SMILESC/C(=C/CO)CSc1ccccc1
InChIInChI=1S/C11H14OS/c1-10(7-8-12)9-13-11-5-3-2-4-6-11/h2-7,12H,8-9H2,1H3/b10-7-
InChIKeyUGGSXACXGKASRY-YFHOEESVSA-N
MW194.30 g/mol
LogP2.72
Rot. Bonds4

About (Z)-3-methyl-4-phenylsulfanylbut-2-en-1-ol

(Z)-3-methyl-4-phenylsulfanylbut-2-en-1-ol (PubChem CID 13380387) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is (Z)-3-methyl-4-phenylsulfanylbut-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-methyl-4-phenylsulfanylbut-2-en-1-ol
PubChem CID13380387
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name(Z)-3-methyl-4-phenylsulfanylbut-2-en-1-ol
SMILESC/C(=C/CO)CSc1ccccc1
InChIInChI=1S/C11H14OS/c1-10(7-8-12)9-13-11-5-3-2-4-6-11/h2-7,12H,8-9H2,1H3/b10-7-
InChIKeyUGGSXACXGKASRY-YFHOEESVSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(Phenylthio)ethanol
CID 69685
1-(Phenylthio)-2-propanol
CID 99788
Ethanol, 2-[(4-methylphenyl)thio]-
CID 83313
3-(Phenylsulfanyl)propan-1-ol
CID 5155841
2-(4-Fluoro-phenylsulfanyl)-ethanol
CID 2759148
2-m-Tolylsulfanyl-ethanol
CID 2760020
[(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
2-Methyl-3-phenylthiopropanol
CID 12573588

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-4-phenylsulfanylbut-2-en-1-ol?
The IUPAC name of (Z)-3-methyl-4-phenylsulfanylbut-2-en-1-ol (CID 13380387) is (Z)-3-methyl-4-phenylsulfanylbut-2-en-1-ol.
What is the SMILES notation for (Z)-3-methyl-4-phenylsulfanylbut-2-en-1-ol?
The canonical SMILES for (Z)-3-methyl-4-phenylsulfanylbut-2-en-1-ol is C/C(=C/CO)CSc1ccccc1.
What is the InChIKey of (Z)-3-methyl-4-phenylsulfanylbut-2-en-1-ol?
The InChIKey is UGGSXACXGKASRY-YFHOEESVSA-N. The full InChI is InChI=1S/C11H14OS/c1-10(7-8-12)9-13-11-5-3-2-4-6-11/h2-7,12H,8-9H2,1H3/b10-7-.
What are the key properties of (Z)-3-methyl-4-phenylsulfanylbut-2-en-1-ol?
(Z)-3-methyl-4-phenylsulfanylbut-2-en-1-ol has a molecular weight of 194.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-4-phenylsulfanylbut-2-en-1-ol is sourced from PubChem (CID 13380387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).