(1Z,3Z)-1-methylsulfanylpenta-1,3-dien-3-ol

C6H10OS — CID 144731327

IUPAC(1Z,3Z)-1-methylsulfanylpenta-1,3-dien-3-ol
SMILESC/C=C(O)/C=C\SC
InChIInChI=1S/C6H10OS/c1-3-6(7)4-5-8-2/h3-5,7H,1-2H3/b5-4-,6-3-
InChIKeyUBAZQWZKSWEDSM-QXYVOPKASA-N
MW130.21 g/mol
LogP2.32
Rot. Bonds2

About (1Z,3Z)-1-methylsulfanylpenta-1,3-dien-3-ol

(1Z,3Z)-1-methylsulfanylpenta-1,3-dien-3-ol (PubChem CID 144731327) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is (1Z,3Z)-1-methylsulfanylpenta-1,3-dien-3-ol.

Molecular Properties

Compound Name(1Z,3Z)-1-methylsulfanylpenta-1,3-dien-3-ol
PubChem CID144731327
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name(1Z,3Z)-1-methylsulfanylpenta-1,3-dien-3-ol
SMILESC/C=C(O)/C=C\SC
InChIInChI=1S/C6H10OS/c1-3-6(7)4-5-8-2/h3-5,7H,1-2H3/b5-4-,6-3-
InChIKeyUBAZQWZKSWEDSM-QXYVOPKASA-N
XLogP2.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-methylsulfanylpenta-1,3-dien-3-ol?
The IUPAC name of (1Z,3Z)-1-methylsulfanylpenta-1,3-dien-3-ol (CID 144731327) is (1Z,3Z)-1-methylsulfanylpenta-1,3-dien-3-ol.
What is the SMILES notation for (1Z,3Z)-1-methylsulfanylpenta-1,3-dien-3-ol?
The canonical SMILES for (1Z,3Z)-1-methylsulfanylpenta-1,3-dien-3-ol is C/C=C(O)/C=C\SC.
What is the InChIKey of (1Z,3Z)-1-methylsulfanylpenta-1,3-dien-3-ol?
The InChIKey is UBAZQWZKSWEDSM-QXYVOPKASA-N. The full InChI is InChI=1S/C6H10OS/c1-3-6(7)4-5-8-2/h3-5,7H,1-2H3/b5-4-,6-3-.
What are the key properties of (1Z,3Z)-1-methylsulfanylpenta-1,3-dien-3-ol?
(1Z,3Z)-1-methylsulfanylpenta-1,3-dien-3-ol has a molecular weight of 130.21 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-methylsulfanylpenta-1,3-dien-3-ol is sourced from PubChem (CID 144731327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).