5-[bis(methylsulfanyl)methylidene]cyclopenta-1,3-diene

C8H10S2 — CID 5259640

IUPAC5-[bis(methylsulfanyl)methylidene]cyclopenta-1,3-diene
SMILESCSC(SC)=C1C=CC=C1
InChIInChI=1S/C8H10S2/c1-9-8(10-2)7-5-3-4-6-7/h3-6H,1-2H3
InChIKeyRLQYAQXVPXBMHJ-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.05
Rot. Bonds2

About 5-[bis(methylsulfanyl)methylidene]cyclopenta-1,3-diene

5-[bis(methylsulfanyl)methylidene]cyclopenta-1,3-diene (PubChem CID 5259640) has the molecular formula C8H10S2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 5-[bis(methylsulfanyl)methylidene]cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-[bis(methylsulfanyl)methylidene]cyclopenta-1,3-diene
PubChem CID5259640
Molecular FormulaC8H10S2
Molecular Weight170.30 g/mol
Exact Mass170.02
IUPAC Name5-[bis(methylsulfanyl)methylidene]cyclopenta-1,3-diene
SMILESCSC(SC)=C1C=CC=C1
InChIInChI=1S/C8H10S2/c1-9-8(10-2)7-5-3-4-6-7/h3-6H,1-2H3
InChIKeyRLQYAQXVPXBMHJ-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[bis(methylsulfanyl)methylidene]cyclopenta-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[bis(methylsulfanyl)methylidene]cyclopenta-1,3-diene?
The IUPAC name of 5-[bis(methylsulfanyl)methylidene]cyclopenta-1,3-diene (CID 5259640) is 5-[bis(methylsulfanyl)methylidene]cyclopenta-1,3-diene.
What is the SMILES notation for 5-[bis(methylsulfanyl)methylidene]cyclopenta-1,3-diene?
The canonical SMILES for 5-[bis(methylsulfanyl)methylidene]cyclopenta-1,3-diene is CSC(SC)=C1C=CC=C1.
What is the InChIKey of 5-[bis(methylsulfanyl)methylidene]cyclopenta-1,3-diene?
The InChIKey is RLQYAQXVPXBMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S2/c1-9-8(10-2)7-5-3-4-6-7/h3-6H,1-2H3.
What are the key properties of 5-[bis(methylsulfanyl)methylidene]cyclopenta-1,3-diene?
5-[bis(methylsulfanyl)methylidene]cyclopenta-1,3-diene has a molecular weight of 170.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(methylsulfanyl)methylidene]cyclopenta-1,3-diene is sourced from PubChem (CID 5259640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).