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

C9H10OS — CID 12685459

IUPAC(Z)-3-phenylsulfanylprop-2-en-1-ol
SMILESOC/C=C\Sc1ccccc1
InChIInChI=1S/C9H10OS/c10-7-4-8-11-9-5-2-1-3-6-9/h1-6,8,10H,7H2/b8-4-
InChIKeyNYWMOSVTPLUIAN-YWEYNIOJSA-N
MW166.24 g/mol
LogP2.28
Rot. Bonds3

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

(Z)-3-phenylsulfanylprop-2-en-1-ol (PubChem CID 12685459) has the molecular formula C9H10OS and a molecular weight of 166.24 g/mol. Its IUPAC name is (Z)-3-phenylsulfanylprop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-phenylsulfanylprop-2-en-1-ol
PubChem CID12685459
Molecular FormulaC9H10OS
Molecular Weight166.24 g/mol
Exact Mass166.05
IUPAC Name(Z)-3-phenylsulfanylprop-2-en-1-ol
SMILESOC/C=C\Sc1ccccc1
InChIInChI=1S/C9H10OS/c10-7-4-8-11-9-5-2-1-3-6-9/h1-6,8,10H,7H2/b8-4-
InChIKeyNYWMOSVTPLUIAN-YWEYNIOJSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-phenylsulfanylbut-3-en-1-ol
CID 10821256
[(E)-but-1-enyl]sulfanylbenzene
CID 5463005
[(Z)-pent-1-enyl]sulfanylbenzene
CID 10397364
(E)-1-phenyl-4-phenylsulfanylbut-3-en-1-ol
CID 12653805
[(E)-4-phenylsulfanylbut-1-enyl]sulfanylbenzene
CID 15920993
(E)-3-(2-methylphenyl)sulfanylprop-2-en-1-ol
CID 130130727
3-phenylsulfanylprop-2-enyl acetate
CID 85397386
non-1-enylsulfanylbenzene
CID 72760837
(E)-1-phenylsulfanylpent-1-en-3-one
CID 14224807
azane;(E)-3-phenylsulfanylprop-2-enoic acid
CID 131666969
(E)-1-phenyl-4-phenylsulfanylbut-3-en-2-one
CID 175599085
3-phenylsulfanylprop-2-enoate
CID 4914453

Frequently Asked Questions

What is the IUPAC name of (Z)-3-phenylsulfanylprop-2-en-1-ol?
The IUPAC name of (Z)-3-phenylsulfanylprop-2-en-1-ol (CID 12685459) is (Z)-3-phenylsulfanylprop-2-en-1-ol.
What is the SMILES notation for (Z)-3-phenylsulfanylprop-2-en-1-ol?
The canonical SMILES for (Z)-3-phenylsulfanylprop-2-en-1-ol is OC/C=C\Sc1ccccc1.
What is the InChIKey of (Z)-3-phenylsulfanylprop-2-en-1-ol?
The InChIKey is NYWMOSVTPLUIAN-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H10OS/c10-7-4-8-11-9-5-2-1-3-6-9/h1-6,8,10H,7H2/b8-4-.
What are the key properties of (Z)-3-phenylsulfanylprop-2-en-1-ol?
(Z)-3-phenylsulfanylprop-2-en-1-ol has a molecular weight of 166.24 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-phenylsulfanylprop-2-en-1-ol is sourced from PubChem (CID 12685459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).