(Z)-4-ethenylsulfanylbut-3-en-2-ol

C6H10OS — CID 13042451

IUPAC(Z)-4-ethenylsulfanylbut-3-en-2-ol
SMILESC=CS/C=C\C(C)O
InChIInChI=1S/C6H10OS/c1-3-8-5-4-6(2)7/h3-7H,1H2,2H3/b5-4-
InChIKeyHKVBIQWNONYLFX-PLNGDYQASA-N
MW130.21 g/mol
LogP1.76
Rot. Bonds3

About (Z)-4-ethenylsulfanylbut-3-en-2-ol

(Z)-4-ethenylsulfanylbut-3-en-2-ol (PubChem CID 13042451) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is (Z)-4-ethenylsulfanylbut-3-en-2-ol.

Molecular Properties

Compound Name(Z)-4-ethenylsulfanylbut-3-en-2-ol
PubChem CID13042451
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name(Z)-4-ethenylsulfanylbut-3-en-2-ol
SMILESC=CS/C=C\C(C)O
InChIInChI=1S/C6H10OS/c1-3-8-5-4-6(2)7/h3-7H,1H2,2H3/b5-4-
InChIKeyHKVBIQWNONYLFX-PLNGDYQASA-N
XLogP1.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-methylsulfanylprop-2-en-1-ol
CID 13023534
2,3-Dihydrothiophene-3-ol
CID 67424077
4-Penten-2-ol, 5-(methylthio)-, (Z)-
CID 5368119
6-(Methylthio)hexa-1,5-dien-3-ol
CID 5368094
(Z)-3-methylsulfanylprop-2-en-1-ol
CID 13023535
5-(Methylthio)-4-penten-2-ol
CID 560393
1-(1-Butylsulfanylethenylselanyl)but-3-en-2-ol
CID 11086671
cis,cis-Di(3-hydroxy-1-butenyl) sulfide
CID 13042453
cis-Di(3-hydroxy-1-butenyl) sulfide
CID 129878974
4-Hydroxythiopyran, 2,3-dihydro-
CID 560299
(Z)-3-ethylsulfanylprop-2-en-1-ol
CID 13331392
(Z)-3-propan-2-ylsulfanylprop-2-en-1-ol
CID 13331396

Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethenylsulfanylbut-3-en-2-ol?
The IUPAC name of (Z)-4-ethenylsulfanylbut-3-en-2-ol (CID 13042451) is (Z)-4-ethenylsulfanylbut-3-en-2-ol.
What is the SMILES notation for (Z)-4-ethenylsulfanylbut-3-en-2-ol?
The canonical SMILES for (Z)-4-ethenylsulfanylbut-3-en-2-ol is C=CS/C=C\C(C)O.
What is the InChIKey of (Z)-4-ethenylsulfanylbut-3-en-2-ol?
The InChIKey is HKVBIQWNONYLFX-PLNGDYQASA-N. The full InChI is InChI=1S/C6H10OS/c1-3-8-5-4-6(2)7/h3-7H,1H2,2H3/b5-4-.
What are the key properties of (Z)-4-ethenylsulfanylbut-3-en-2-ol?
(Z)-4-ethenylsulfanylbut-3-en-2-ol has a molecular weight of 130.21 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethenylsulfanylbut-3-en-2-ol is sourced from PubChem (CID 13042451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).