(Z)-2,3-bis(phenylsulfanyl)prop-2-en-1-ol

C15H14OS2 — CID 11173397

IUPAC(Z)-2,3-bis(phenylsulfanyl)prop-2-en-1-ol
SMILESOC/C(=C/Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C15H14OS2/c16-11-15(18-14-9-5-2-6-10-14)12-17-13-7-3-1-4-8-13/h1-10,12,16H,11H2/b15-12-
InChIKeyGETNBRDORYHCHQ-QINSGFPZSA-N
MW274.41 g/mol
LogP4.40
Rot. Bonds5

About (Z)-2,3-bis(phenylsulfanyl)prop-2-en-1-ol

(Z)-2,3-bis(phenylsulfanyl)prop-2-en-1-ol (PubChem CID 11173397) has the molecular formula C15H14OS2 and a molecular weight of 274.41 g/mol. Its IUPAC name is (Z)-2,3-bis(phenylsulfanyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2,3-bis(phenylsulfanyl)prop-2-en-1-ol
PubChem CID11173397
Molecular FormulaC15H14OS2
Molecular Weight274.41 g/mol
Exact Mass274.05
IUPAC Name(Z)-2,3-bis(phenylsulfanyl)prop-2-en-1-ol
SMILESOC/C(=C/Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C15H14OS2/c16-11-15(18-14-9-5-2-6-10-14)12-17-13-7-3-1-4-8-13/h1-10,12,16H,11H2/b15-12-
InChIKeyGETNBRDORYHCHQ-QINSGFPZSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzene, 1,1'-(1,2-ethanediylbis(thio))bis-
CID 69317
2-(Phenylthio)ethanol
CID 69685
1-(Phenylthio)-2-propanol
CID 99788
((2-Hydroxy-3-(phenylsulfanyl)propyl)sulfanyl)benzene
CID 12671306
(Z)-3,4-bis(benzenesulfonyl)but-2-en-1-ol
CID 5389617
3-(Phenylsulfanyl)propan-1-ol
CID 5155841
1,3-Bis(phenylsulfanyl)propan-2-one
CID 2320201
2-(4-Fluoro-phenylsulfanyl)-ethanol
CID 2759148
2-(Phenylsulfanyl)cyclohexanol
CID 278135
5-Phenylsulfanylpentan-1-ol
CID 346015
2-Butanol, 1-(phenylthio)-
CID 580222
4-(Phenylsulfanyl)-2-butanol
CID 11019506

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-bis(phenylsulfanyl)prop-2-en-1-ol?
The IUPAC name of (Z)-2,3-bis(phenylsulfanyl)prop-2-en-1-ol (CID 11173397) is (Z)-2,3-bis(phenylsulfanyl)prop-2-en-1-ol.
What is the SMILES notation for (Z)-2,3-bis(phenylsulfanyl)prop-2-en-1-ol?
The canonical SMILES for (Z)-2,3-bis(phenylsulfanyl)prop-2-en-1-ol is OC/C(=C/Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of (Z)-2,3-bis(phenylsulfanyl)prop-2-en-1-ol?
The InChIKey is GETNBRDORYHCHQ-QINSGFPZSA-N. The full InChI is InChI=1S/C15H14OS2/c16-11-15(18-14-9-5-2-6-10-14)12-17-13-7-3-1-4-8-13/h1-10,12,16H,11H2/b15-12-.
What are the key properties of (Z)-2,3-bis(phenylsulfanyl)prop-2-en-1-ol?
(Z)-2,3-bis(phenylsulfanyl)prop-2-en-1-ol has a molecular weight of 274.41 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-bis(phenylsulfanyl)prop-2-en-1-ol is sourced from PubChem (CID 11173397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).