(2Z)-2-methylsulfanylpenta-2,4-dien-1-ol

C6H10OS — CID 89416206

IUPAC(2Z)-2-methylsulfanylpenta-2,4-dien-1-ol
SMILESC=C/C=C(/CO)SC
InChIInChI=1S/C6H10OS/c1-3-4-6(5-7)8-2/h3-4,7H,1,5H2,2H3/b6-4-
InChIKeyWRBKCXIVEJQLBX-XQRVVYSFSA-N
MW130.21 g/mol
LogP1.41
Rot. Bonds3

About (2Z)-2-methylsulfanylpenta-2,4-dien-1-ol

(2Z)-2-methylsulfanylpenta-2,4-dien-1-ol (PubChem CID 89416206) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is (2Z)-2-methylsulfanylpenta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2Z)-2-methylsulfanylpenta-2,4-dien-1-ol
PubChem CID89416206
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name(2Z)-2-methylsulfanylpenta-2,4-dien-1-ol
SMILESC=C/C=C(/CO)SC
InChIInChI=1S/C6H10OS/c1-3-4-6(5-7)8-2/h3-4,7H,1,5H2,2H3/b6-4-
InChIKeyWRBKCXIVEJQLBX-XQRVVYSFSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-methylsulfanylpenta-2,4-dien-1-ol?
The IUPAC name of (2Z)-2-methylsulfanylpenta-2,4-dien-1-ol (CID 89416206) is (2Z)-2-methylsulfanylpenta-2,4-dien-1-ol.
What is the SMILES notation for (2Z)-2-methylsulfanylpenta-2,4-dien-1-ol?
The canonical SMILES for (2Z)-2-methylsulfanylpenta-2,4-dien-1-ol is C=C/C=C(/CO)SC.
What is the InChIKey of (2Z)-2-methylsulfanylpenta-2,4-dien-1-ol?
The InChIKey is WRBKCXIVEJQLBX-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H10OS/c1-3-4-6(5-7)8-2/h3-4,7H,1,5H2,2H3/b6-4-.
What are the key properties of (2Z)-2-methylsulfanylpenta-2,4-dien-1-ol?
(2Z)-2-methylsulfanylpenta-2,4-dien-1-ol has a molecular weight of 130.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-methylsulfanylpenta-2,4-dien-1-ol is sourced from PubChem (CID 89416206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).