2-(methylsulfanylmethyl)cyclopenta-1,3-diene

C7H10S — CID 22555406

IUPAC2-(methylsulfanylmethyl)cyclopenta-1,3-diene
SMILESCSCC1=CCC=C1
InChIInChI=1S/C7H10S/c1-8-6-7-4-2-3-5-7/h2,4-5H,3,6H2,1H3
InChIKeyINCSANPQMDCWIU-UHFFFAOYSA-N
MW126.22 g/mol
LogP2.24
Rot. Bonds2

About 2-(methylsulfanylmethyl)cyclopenta-1,3-diene

2-(methylsulfanylmethyl)cyclopenta-1,3-diene (PubChem CID 22555406) has the molecular formula C7H10S and a molecular weight of 126.22 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)cyclopenta-1,3-diene
PubChem CID22555406
Molecular FormulaC7H10S
Molecular Weight126.22 g/mol
Exact Mass126.05
IUPAC Name2-(methylsulfanylmethyl)cyclopenta-1,3-diene
SMILESCSCC1=CCC=C1
InChIInChI=1S/C7H10S/c1-8-6-7-4-2-3-5-7/h2,4-5H,3,6H2,1H3
InChIKeyINCSANPQMDCWIU-UHFFFAOYSA-N
XLogP2.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)cyclopenta-1,3-diene?
The IUPAC name of 2-(methylsulfanylmethyl)cyclopenta-1,3-diene (CID 22555406) is 2-(methylsulfanylmethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 2-(methylsulfanylmethyl)cyclopenta-1,3-diene?
The canonical SMILES for 2-(methylsulfanylmethyl)cyclopenta-1,3-diene is CSCC1=CCC=C1.
What is the InChIKey of 2-(methylsulfanylmethyl)cyclopenta-1,3-diene?
The InChIKey is INCSANPQMDCWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S/c1-8-6-7-4-2-3-5-7/h2,4-5H,3,6H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)cyclopenta-1,3-diene?
2-(methylsulfanylmethyl)cyclopenta-1,3-diene has a molecular weight of 126.22 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 22555406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).