(Z)-3,4-bis(phenylsulfanyl)but-3-en-2-ol

C16H16OS2 — CID 134900364

IUPAC(Z)-3,4-bis(phenylsulfanyl)but-3-en-2-ol
SMILESCC(O)/C(=C/Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C16H16OS2/c1-13(17)16(19-15-10-6-3-7-11-15)12-18-14-8-4-2-5-9-14/h2-13,17H,1H3/b16-12-
InChIKeyXEHFJDCHOVRYMW-VBKFSLOCSA-N
MW288.44 g/mol
LogP4.79
Rot. Bonds5

About (Z)-3,4-bis(phenylsulfanyl)but-3-en-2-ol

(Z)-3,4-bis(phenylsulfanyl)but-3-en-2-ol (PubChem CID 134900364) has the molecular formula C16H16OS2 and a molecular weight of 288.44 g/mol. Its IUPAC name is (Z)-3,4-bis(phenylsulfanyl)but-3-en-2-ol.

Molecular Properties

Compound Name(Z)-3,4-bis(phenylsulfanyl)but-3-en-2-ol
PubChem CID134900364
Molecular FormulaC16H16OS2
Molecular Weight288.44 g/mol
Exact Mass288.06
IUPAC Name(Z)-3,4-bis(phenylsulfanyl)but-3-en-2-ol
SMILESCC(O)/C(=C/Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C16H16OS2/c1-13(17)16(19-15-10-6-3-7-11-15)12-18-14-8-4-2-5-9-14/h2-13,17H,1H3/b16-12-
InChIKeyXEHFJDCHOVRYMW-VBKFSLOCSA-N
XLogP4.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(Phenylsulfanyl)cyclohexanol
CID 278135
2-Butanol, 1-(phenylthio)-
CID 580222
4-(Phenylsulfanyl)-2-butanol
CID 11019506
(2E)-2-Methyl-4-(phenylthio)-2-buten-1-ol
CID 11159875
1-(Phenylsulfinyl)propan-2-ol
CID 12619450
2-(Phenylsulfanyl)propan-1-ol
CID 15563453
3-Methyl-1-(phenylsulfanyl)butan-2-ol
CID 12562878
(Z)-3,4-difluoro-4-phenylsulfanylbut-3-en-2-ol
CID 13492169

Frequently Asked Questions

What is the IUPAC name of (Z)-3,4-bis(phenylsulfanyl)but-3-en-2-ol?
The IUPAC name of (Z)-3,4-bis(phenylsulfanyl)but-3-en-2-ol (CID 134900364) is (Z)-3,4-bis(phenylsulfanyl)but-3-en-2-ol.
What is the SMILES notation for (Z)-3,4-bis(phenylsulfanyl)but-3-en-2-ol?
The canonical SMILES for (Z)-3,4-bis(phenylsulfanyl)but-3-en-2-ol is CC(O)/C(=C/Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of (Z)-3,4-bis(phenylsulfanyl)but-3-en-2-ol?
The InChIKey is XEHFJDCHOVRYMW-VBKFSLOCSA-N. The full InChI is InChI=1S/C16H16OS2/c1-13(17)16(19-15-10-6-3-7-11-15)12-18-14-8-4-2-5-9-14/h2-13,17H,1H3/b16-12-.
What are the key properties of (Z)-3,4-bis(phenylsulfanyl)but-3-en-2-ol?
(Z)-3,4-bis(phenylsulfanyl)but-3-en-2-ol has a molecular weight of 288.44 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,4-bis(phenylsulfanyl)but-3-en-2-ol is sourced from PubChem (CID 134900364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).