5-methylsulfanylpenta-1,3-diene

C6H10S — CID 73164701

IUPAC5-methylsulfanylpenta-1,3-diene
SMILESC=CC=CCSC
InChIInChI=1S/C6H10S/c1-3-4-5-6-7-2/h3-5H,1,6H2,2H3
InChIKeyDLIKZIOVXUYDIZ-UHFFFAOYSA-N
MW114.21 g/mol
LogP2.09
Rot. Bonds3

About 5-methylsulfanylpenta-1,3-diene

5-methylsulfanylpenta-1,3-diene (PubChem CID 73164701) has the molecular formula C6H10S and a molecular weight of 114.21 g/mol. Its IUPAC name is 5-methylsulfanylpenta-1,3-diene.

Molecular Properties

Compound Name5-methylsulfanylpenta-1,3-diene
PubChem CID73164701
Molecular FormulaC6H10S
Molecular Weight114.21 g/mol
Exact Mass114.05
IUPAC Name5-methylsulfanylpenta-1,3-diene
SMILESC=CC=CCSC
InChIInChI=1S/C6H10S/c1-3-4-5-6-7-2/h3-5H,1,6H2,2H3
InChIKeyDLIKZIOVXUYDIZ-UHFFFAOYSA-N
XLogP2.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(E)-Ethyl-1-propenylsulfide
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Ethyl crotyl sulfide
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Dicrotyl sulfide
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1-[(But-2-en-1-yl)sulfanyl]but-2-ene
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Crotyl propyl sulfide
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(E)-Allyl(prop-1-en-1-yl)sulfane
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(3E,5E,7Z)-7-methylsulfanyltrideca-1,3,5,7-tetraen-9,11-diyne
CID 101416374
7-Methylsulfanyltrideca-1,3,5,7-tetraen-9,11-diyne
CID 162977268

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanylpenta-1,3-diene?
The IUPAC name of 5-methylsulfanylpenta-1,3-diene (CID 73164701) is 5-methylsulfanylpenta-1,3-diene.
What is the SMILES notation for 5-methylsulfanylpenta-1,3-diene?
The canonical SMILES for 5-methylsulfanylpenta-1,3-diene is C=CC=CCSC.
What is the InChIKey of 5-methylsulfanylpenta-1,3-diene?
The InChIKey is DLIKZIOVXUYDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S/c1-3-4-5-6-7-2/h3-5H,1,6H2,2H3.
What are the key properties of 5-methylsulfanylpenta-1,3-diene?
5-methylsulfanylpenta-1,3-diene has a molecular weight of 114.21 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanylpenta-1,3-diene is sourced from PubChem (CID 73164701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).