(1Z,3E)-1-methylsulfanylpenta-1,3-diene

C6H10S — CID 12552099

IUPAC(1Z,3E)-1-methylsulfanylpenta-1,3-diene
SMILESC/C=C/C=C\SC
InChIInChI=1S/C6H10S/c1-3-4-5-6-7-2/h3-6H,1-2H3/b4-3+,6-5-
InChIKeyADXOTEVQFAAAHH-ICWBMWKASA-N
MW114.21 g/mol
LogP2.44
Rot. Bonds2

About (1Z,3E)-1-methylsulfanylpenta-1,3-diene

(1Z,3E)-1-methylsulfanylpenta-1,3-diene (PubChem CID 12552099) has the molecular formula C6H10S and a molecular weight of 114.21 g/mol. Its IUPAC name is (1Z,3E)-1-methylsulfanylpenta-1,3-diene.

Molecular Properties

Compound Name(1Z,3E)-1-methylsulfanylpenta-1,3-diene
PubChem CID12552099
Molecular FormulaC6H10S
Molecular Weight114.21 g/mol
Exact Mass114.05
IUPAC Name(1Z,3E)-1-methylsulfanylpenta-1,3-diene
SMILESC/C=C/C=C\SC
InChIInChI=1S/C6H10S/c1-3-4-5-6-7-2/h3-6H,1-2H3/b4-3+,6-5-
InChIKeyADXOTEVQFAAAHH-ICWBMWKASA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-1-methylsulfanylpenta-1,3-diene?
The IUPAC name of (1Z,3E)-1-methylsulfanylpenta-1,3-diene (CID 12552099) is (1Z,3E)-1-methylsulfanylpenta-1,3-diene.
What is the SMILES notation for (1Z,3E)-1-methylsulfanylpenta-1,3-diene?
The canonical SMILES for (1Z,3E)-1-methylsulfanylpenta-1,3-diene is C/C=C/C=C\SC.
What is the InChIKey of (1Z,3E)-1-methylsulfanylpenta-1,3-diene?
The InChIKey is ADXOTEVQFAAAHH-ICWBMWKASA-N. The full InChI is InChI=1S/C6H10S/c1-3-4-5-6-7-2/h3-6H,1-2H3/b4-3+,6-5-.
What are the key properties of (1Z,3E)-1-methylsulfanylpenta-1,3-diene?
(1Z,3E)-1-methylsulfanylpenta-1,3-diene has a molecular weight of 114.21 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1-methylsulfanylpenta-1,3-diene is sourced from PubChem (CID 12552099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).