3-methylsulfanylpenta-1,2-diene

C6H10S — CID 119097771

IUPAC3-methylsulfanylpenta-1,2-diene
SMILESC=C=C(CC)SC
InChIInChI=1S/C6H10S/c1-4-6(5-2)7-3/h1,5H2,2-3H3
InChIKeyVYGHMXQKSPZESM-UHFFFAOYSA-N
MW114.21 g/mol
LogP2.43
Rot. Bonds2

About 3-methylsulfanylpenta-1,2-diene

3-methylsulfanylpenta-1,2-diene (PubChem CID 119097771) has the molecular formula C6H10S and a molecular weight of 114.21 g/mol. Its IUPAC name is 3-methylsulfanylpenta-1,2-diene.

Molecular Properties

Compound Name3-methylsulfanylpenta-1,2-diene
PubChem CID119097771
Molecular FormulaC6H10S
Molecular Weight114.21 g/mol
Exact Mass114.05
IUPAC Name3-methylsulfanylpenta-1,2-diene
SMILESC=C=C(CC)SC
InChIInChI=1S/C6H10S/c1-4-6(5-2)7-3/h1,5H2,2-3H3
InChIKeyVYGHMXQKSPZESM-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methoxypenta-1,2-diene
CID 71350747
4-methyl-3-methylsulfanylpenta-1,2,4-triene
CID 89172686
fluoroethane;3-methylbuta-1,2-diene
CID 143722079
(E)-2-(2-bromo-4,5-dimethoxyphenyl)-3-methylsulfanylpent-2-enenitrile
CID 24809356
2-ethenylidenehexan-1-ol
CID 14968812
(3S)-5-ethenylidenenonan-3-ol
CID 71419853
methane;propa-1,2-diene;propane
CID 160788212
3-methylsulfanylocta-3,4-dien-1-ol
CID 44719800
3-(bromomethyl)hepta-1,2-diene
CID 23270419
2-(2-ethenylidenehexyl)propanedioic acid
CID 174816589
butane;3-methylhexa-1,2-diene
CID 145158115
(Z)-2-methyl-1-methylsulfanylbut-1-en-1-amine
CID 173476232

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanylpenta-1,2-diene?
The IUPAC name of 3-methylsulfanylpenta-1,2-diene (CID 119097771) is 3-methylsulfanylpenta-1,2-diene.
What is the SMILES notation for 3-methylsulfanylpenta-1,2-diene?
The canonical SMILES for 3-methylsulfanylpenta-1,2-diene is C=C=C(CC)SC.
What is the InChIKey of 3-methylsulfanylpenta-1,2-diene?
The InChIKey is VYGHMXQKSPZESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S/c1-4-6(5-2)7-3/h1,5H2,2-3H3.
What are the key properties of 3-methylsulfanylpenta-1,2-diene?
3-methylsulfanylpenta-1,2-diene has a molecular weight of 114.21 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylpenta-1,2-diene is sourced from PubChem (CID 119097771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).