(Z)-4-methylsulfanylbut-3-en-1-ol

C5H10OS — CID 143469331

IUPAC(Z)-4-methylsulfanylbut-3-en-1-ol
SMILESCS/C=C\CCO
InChIInChI=1S/C5H10OS/c1-7-5-3-2-4-6/h3,5-6H,2,4H2,1H3/b5-3-
InChIKeyJVROKEQCANWVDC-HYXAFXHYSA-N
MW118.20 g/mol
LogP1.25
Rot. Bonds3

About (Z)-4-methylsulfanylbut-3-en-1-ol

(Z)-4-methylsulfanylbut-3-en-1-ol (PubChem CID 143469331) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is (Z)-4-methylsulfanylbut-3-en-1-ol.

Molecular Properties

Compound Name(Z)-4-methylsulfanylbut-3-en-1-ol
PubChem CID143469331
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name(Z)-4-methylsulfanylbut-3-en-1-ol
SMILESCS/C=C\CCO
InChIInChI=1S/C5H10OS/c1-7-5-3-2-4-6/h3,5-6H,2,4H2,1H3/b5-3-
InChIKeyJVROKEQCANWVDC-HYXAFXHYSA-N
XLogP1.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 101001701
1-methylsulfanyldodec-1-ene
CID 54454895
1-methylsulfanylbut-1-ene
CID 519416
1-methylsulfanyl-3-(3-methylsulfanylprop-2-enyldisulfanyl)prop-1-ene
CID 85408819
(E)-4-phenylsulfanylbut-3-en-1-ol
CID 10821256
(Z)-5,5-dimethylhex-3-en-1-ol
CID 117268008
N-[(E)-3-methylsulfanylprop-2-enyl]methanimine
CID 118675776
4-methyl-1-methylsulfanylpent-1-ene
CID 13307684
(E)-4-iodobut-3-en-1-ol
CID 10821775
(5E)-3-methyl-6-methylsulfanylhexa-1,5-dien-3-ol
CID 5368118
3-methylsulfanylprop-2-enylbenzene
CID 70387625
heptadec-3-en-1-ol
CID 86130004

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methylsulfanylbut-3-en-1-ol?
The IUPAC name of (Z)-4-methylsulfanylbut-3-en-1-ol (CID 143469331) is (Z)-4-methylsulfanylbut-3-en-1-ol.
What is the SMILES notation for (Z)-4-methylsulfanylbut-3-en-1-ol?
The canonical SMILES for (Z)-4-methylsulfanylbut-3-en-1-ol is CS/C=C\CCO.
What is the InChIKey of (Z)-4-methylsulfanylbut-3-en-1-ol?
The InChIKey is JVROKEQCANWVDC-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H10OS/c1-7-5-3-2-4-6/h3,5-6H,2,4H2,1H3/b5-3-.
What are the key properties of (Z)-4-methylsulfanylbut-3-en-1-ol?
(Z)-4-methylsulfanylbut-3-en-1-ol has a molecular weight of 118.20 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methylsulfanylbut-3-en-1-ol is sourced from PubChem (CID 143469331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).