(Z)-2-bromo-3-phenylsulfanylbut-2-en-1-ol

C10H11BrOS — CID 11414252

IUPAC(Z)-2-bromo-3-phenylsulfanylbut-2-en-1-ol
SMILESC/C(Sc1ccccc1)=C(/Br)CO
InChIInChI=1S/C10H11BrOS/c1-8(10(11)7-12)13-9-5-3-2-4-6-9/h2-6,12H,7H2,1H3/b10-8-
InChIKeyQGLUAIUMKGPKAN-NTMALXAHSA-N
MW259.17 g/mol
LogP3.40
Rot. Bonds3

About (Z)-2-bromo-3-phenylsulfanylbut-2-en-1-ol

(Z)-2-bromo-3-phenylsulfanylbut-2-en-1-ol (PubChem CID 11414252) has the molecular formula C10H11BrOS and a molecular weight of 259.17 g/mol. Its IUPAC name is (Z)-2-bromo-3-phenylsulfanylbut-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-bromo-3-phenylsulfanylbut-2-en-1-ol
PubChem CID11414252
Molecular FormulaC10H11BrOS
Molecular Weight259.17 g/mol
Exact Mass257.97
IUPAC Name(Z)-2-bromo-3-phenylsulfanylbut-2-en-1-ol
SMILESC/C(Sc1ccccc1)=C(/Br)CO
InChIInChI=1S/C10H11BrOS/c1-8(10(11)7-12)13-9-5-3-2-4-6-9/h2-6,12H,7H2,1H3/b10-8-
InChIKeyQGLUAIUMKGPKAN-NTMALXAHSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 53.40
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
3-(Phenylsulfanyl)propan-1-ol
CID 5155841
(2E)-2-Methyl-4-(phenylthio)-2-buten-1-ol
CID 11159875
2-(Phenylsulfanyl)propan-1-ol
CID 15563453
2-Methyl-3-(phenylthio)-3,4-pentadien-2-ol
CID 373327
(Z)-3,4-difluoro-4-phenylsulfanylbut-3-en-2-ol
CID 13492169
3-(2-Fluorophenyl)sulfanylbut-3-en-2-ol
CID 155930877
2-Buten-1-ol, 3-methyl-4-(phenylthio)-, (E)-
CID 5367886
(Z)-2-methyl-4-phenylsulfanylbut-2-en-1-ol
CID 10130341
(s)-3-Phenylthio-2-propanol
CID 10855897
4-Phenylthio-3-methylbut-2z-en-1-ol
CID 13380387

Frequently Asked Questions

What is the IUPAC name of (Z)-2-bromo-3-phenylsulfanylbut-2-en-1-ol?
The IUPAC name of (Z)-2-bromo-3-phenylsulfanylbut-2-en-1-ol (CID 11414252) is (Z)-2-bromo-3-phenylsulfanylbut-2-en-1-ol.
What is the SMILES notation for (Z)-2-bromo-3-phenylsulfanylbut-2-en-1-ol?
The canonical SMILES for (Z)-2-bromo-3-phenylsulfanylbut-2-en-1-ol is C/C(Sc1ccccc1)=C(/Br)CO.
What is the InChIKey of (Z)-2-bromo-3-phenylsulfanylbut-2-en-1-ol?
The InChIKey is QGLUAIUMKGPKAN-NTMALXAHSA-N. The full InChI is InChI=1S/C10H11BrOS/c1-8(10(11)7-12)13-9-5-3-2-4-6-9/h2-6,12H,7H2,1H3/b10-8-.
What are the key properties of (Z)-2-bromo-3-phenylsulfanylbut-2-en-1-ol?
(Z)-2-bromo-3-phenylsulfanylbut-2-en-1-ol has a molecular weight of 259.17 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-bromo-3-phenylsulfanylbut-2-en-1-ol is sourced from PubChem (CID 11414252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).