(5Z,7Z)-4-methylidene-3-(2-methylpropyl)thiocine

C12H16S — CID 174022072

IUPAC(5Z,7Z)-4-methylidene-3-(2-methylpropyl)thiocine
SMILESC=C1/C=C\C=C/SC=C1CC(C)C
InChIInChI=1S/C12H16S/c1-10(2)8-12-9-13-7-5-4-6-11(12)3/h4-7,9-10H,3,8H2,1-2H3/b6-4-,7-5-,12-9?
InChIKeySKLJVUHCUHJDFT-GYLBARNFSA-N
MW192.33 g/mol
LogP4.29
Rot. Bonds2

About (5Z,7Z)-4-methylidene-3-(2-methylpropyl)thiocine

(5Z,7Z)-4-methylidene-3-(2-methylpropyl)thiocine (PubChem CID 174022072) has the molecular formula C12H16S and a molecular weight of 192.33 g/mol. Its IUPAC name is (5Z,7Z)-4-methylidene-3-(2-methylpropyl)thiocine.

Molecular Properties

Compound Name(5Z,7Z)-4-methylidene-3-(2-methylpropyl)thiocine
PubChem CID174022072
Molecular FormulaC12H16S
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Name(5Z,7Z)-4-methylidene-3-(2-methylpropyl)thiocine
SMILESC=C1/C=C\C=C/SC=C1CC(C)C
InChIInChI=1S/C12H16S/c1-10(2)8-12-9-13-7-5-4-6-11(12)3/h4-7,9-10H,3,8H2,1-2H3/b6-4-,7-5-,12-9?
InChIKeySKLJVUHCUHJDFT-GYLBARNFSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5Z,7Z)-4-methylidene-3-(2-methylpropyl)thiocine 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 (5Z,7Z)-4-methylidene-3-(2-methylpropyl)thiocine?
The IUPAC name of (5Z,7Z)-4-methylidene-3-(2-methylpropyl)thiocine (CID 174022072) is (5Z,7Z)-4-methylidene-3-(2-methylpropyl)thiocine.
What is the SMILES notation for (5Z,7Z)-4-methylidene-3-(2-methylpropyl)thiocine?
The canonical SMILES for (5Z,7Z)-4-methylidene-3-(2-methylpropyl)thiocine is C=C1/C=C\C=C/SC=C1CC(C)C.
What is the InChIKey of (5Z,7Z)-4-methylidene-3-(2-methylpropyl)thiocine?
The InChIKey is SKLJVUHCUHJDFT-GYLBARNFSA-N. The full InChI is InChI=1S/C12H16S/c1-10(2)8-12-9-13-7-5-4-6-11(12)3/h4-7,9-10H,3,8H2,1-2H3/b6-4-,7-5-,12-9?.
What are the key properties of (5Z,7Z)-4-methylidene-3-(2-methylpropyl)thiocine?
(5Z,7Z)-4-methylidene-3-(2-methylpropyl)thiocine has a molecular weight of 192.33 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-4-methylidene-3-(2-methylpropyl)thiocine is sourced from PubChem (CID 174022072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).