(Z)-2-prop-2-enylsulfanylbut-2-en-1-ol

C7H12OS — CID 89419022

IUPAC(Z)-2-prop-2-enylsulfanylbut-2-en-1-ol
SMILESC=CCS/C(=C\C)CO
InChIInChI=1S/C7H12OS/c1-3-5-9-7(4-2)6-8/h3-4,8H,1,5-6H2,2H3/b7-4-
InChIKeyXAJSADYMTFQSDL-DAXSKMNVSA-N
MW144.24 g/mol
LogP1.80
Rot. Bonds4

About (Z)-2-prop-2-enylsulfanylbut-2-en-1-ol

(Z)-2-prop-2-enylsulfanylbut-2-en-1-ol (PubChem CID 89419022) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is (Z)-2-prop-2-enylsulfanylbut-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-prop-2-enylsulfanylbut-2-en-1-ol
PubChem CID89419022
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name(Z)-2-prop-2-enylsulfanylbut-2-en-1-ol
SMILESC=CCS/C(=C\C)CO
InChIInChI=1S/C7H12OS/c1-3-5-9-7(4-2)6-8/h3-4,8H,1,5-6H2,2H3/b7-4-
InChIKeyXAJSADYMTFQSDL-DAXSKMNVSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-prop-2-enylsulfanylbut-2-en-1-ol?
The IUPAC name of (Z)-2-prop-2-enylsulfanylbut-2-en-1-ol (CID 89419022) is (Z)-2-prop-2-enylsulfanylbut-2-en-1-ol.
What is the SMILES notation for (Z)-2-prop-2-enylsulfanylbut-2-en-1-ol?
The canonical SMILES for (Z)-2-prop-2-enylsulfanylbut-2-en-1-ol is C=CCS/C(=C\C)CO.
What is the InChIKey of (Z)-2-prop-2-enylsulfanylbut-2-en-1-ol?
The InChIKey is XAJSADYMTFQSDL-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H12OS/c1-3-5-9-7(4-2)6-8/h3-4,8H,1,5-6H2,2H3/b7-4-.
What are the key properties of (Z)-2-prop-2-enylsulfanylbut-2-en-1-ol?
(Z)-2-prop-2-enylsulfanylbut-2-en-1-ol has a molecular weight of 144.24 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-prop-2-enylsulfanylbut-2-en-1-ol is sourced from PubChem (CID 89419022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).