(5Z)-3,3,7,7-tetramethyl-4,8-dihydro-2H-thiocine

C11H20S — CID 153422566

IUPAC(5Z)-3,3,7,7-tetramethyl-4,8-dihydro-2H-thiocine
SMILESCC1(C)/C=C\CC(C)(C)CSC1
InChIInChI=1S/C11H20S/c1-10(2)6-5-7-11(3,4)9-12-8-10/h5-6H,7-9H2,1-4H3/b6-5-
InChIKeyQWNJWAZFWCZJFM-WAYWQWQTSA-N
MW184.35 g/mol
LogP3.73
Rot. Bonds

About (5Z)-3,3,7,7-tetramethyl-4,8-dihydro-2H-thiocine

(5Z)-3,3,7,7-tetramethyl-4,8-dihydro-2H-thiocine (PubChem CID 153422566) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is (5Z)-3,3,7,7-tetramethyl-4,8-dihydro-2H-thiocine.

Molecular Properties

Compound Name(5Z)-3,3,7,7-tetramethyl-4,8-dihydro-2H-thiocine
PubChem CID153422566
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name(5Z)-3,3,7,7-tetramethyl-4,8-dihydro-2H-thiocine
SMILESCC1(C)/C=C\CC(C)(C)CSC1
InChIInChI=1S/C11H20S/c1-10(2)6-5-7-11(3,4)9-12-8-10/h5-6H,7-9H2,1-4H3/b6-5-
InChIKeyQWNJWAZFWCZJFM-WAYWQWQTSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5Z)-3,3,7,7-tetramethyl-4,8-dihydro-2H-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)-3,3,7,7-tetramethyl-4,8-dihydro-2H-thiocine?
The IUPAC name of (5Z)-3,3,7,7-tetramethyl-4,8-dihydro-2H-thiocine (CID 153422566) is (5Z)-3,3,7,7-tetramethyl-4,8-dihydro-2H-thiocine.
What is the SMILES notation for (5Z)-3,3,7,7-tetramethyl-4,8-dihydro-2H-thiocine?
The canonical SMILES for (5Z)-3,3,7,7-tetramethyl-4,8-dihydro-2H-thiocine is CC1(C)/C=C\CC(C)(C)CSC1.
What is the InChIKey of (5Z)-3,3,7,7-tetramethyl-4,8-dihydro-2H-thiocine?
The InChIKey is QWNJWAZFWCZJFM-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H20S/c1-10(2)6-5-7-11(3,4)9-12-8-10/h5-6H,7-9H2,1-4H3/b6-5-.
What are the key properties of (5Z)-3,3,7,7-tetramethyl-4,8-dihydro-2H-thiocine?
(5Z)-3,3,7,7-tetramethyl-4,8-dihydro-2H-thiocine has a molecular weight of 184.35 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3,3,7,7-tetramethyl-4,8-dihydro-2H-thiocine is sourced from PubChem (CID 153422566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).