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

C9H9BrOS — CID 11149246

IUPAC(Z)-2-bromo-3-phenylsulfanylprop-2-en-1-ol
SMILESOC/C(Br)=C/Sc1ccccc1
InChIInChI=1S/C9H9BrOS/c10-8(6-11)7-12-9-4-2-1-3-5-9/h1-5,7,11H,6H2/b8-7-
InChIKeyGEWMJSLAQQUMIP-FPLPWBNLSA-N
MW245.14 g/mol
LogP3.01
Rot. Bonds3

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

(Z)-2-bromo-3-phenylsulfanylprop-2-en-1-ol (PubChem CID 11149246) has the molecular formula C9H9BrOS and a molecular weight of 245.14 g/mol. Its IUPAC name is (Z)-2-bromo-3-phenylsulfanylprop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-bromo-3-phenylsulfanylprop-2-en-1-ol
PubChem CID11149246
Molecular FormulaC9H9BrOS
Molecular Weight245.14 g/mol
Exact Mass243.96
IUPAC Name(Z)-2-bromo-3-phenylsulfanylprop-2-en-1-ol
SMILESOC/C(Br)=C/Sc1ccccc1
InChIInChI=1S/C9H9BrOS/c10-8(6-11)7-12-9-4-2-1-3-5-9/h1-5,7,11H,6H2/b8-7-
InChIKeyGEWMJSLAQQUMIP-FPLPWBNLSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.14
LogP ≤ 53.01
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
2-((4-Bromophenyl)thio)ethanol
CID 203586
3-(Phenylsulfanyl)propan-1-ol
CID 5155841
2-(4-Fluoro-phenylsulfanyl)-ethanol
CID 2759148
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
2-Methyl-3-phenylthiopropanol
CID 12573588
2-(Phenylsulfanyl)propan-1-ol
CID 15563453

Frequently Asked Questions

What is the IUPAC name of (Z)-2-bromo-3-phenylsulfanylprop-2-en-1-ol?
The IUPAC name of (Z)-2-bromo-3-phenylsulfanylprop-2-en-1-ol (CID 11149246) is (Z)-2-bromo-3-phenylsulfanylprop-2-en-1-ol.
What is the SMILES notation for (Z)-2-bromo-3-phenylsulfanylprop-2-en-1-ol?
The canonical SMILES for (Z)-2-bromo-3-phenylsulfanylprop-2-en-1-ol is OC/C(Br)=C/Sc1ccccc1.
What is the InChIKey of (Z)-2-bromo-3-phenylsulfanylprop-2-en-1-ol?
The InChIKey is GEWMJSLAQQUMIP-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H9BrOS/c10-8(6-11)7-12-9-4-2-1-3-5-9/h1-5,7,11H,6H2/b8-7-.
What are the key properties of (Z)-2-bromo-3-phenylsulfanylprop-2-en-1-ol?
(Z)-2-bromo-3-phenylsulfanylprop-2-en-1-ol has a molecular weight of 245.14 g/mol, XLogP of 3.01, 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-phenylsulfanylprop-2-en-1-ol is sourced from PubChem (CID 11149246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).