(7Z)-4,4,6,8-tetramethyl-2,3,5,6-tetrahydrothiocin-5-ol

C11H20OS — CID 134355384

IUPAC(7Z)-4,4,6,8-tetramethyl-2,3,5,6-tetrahydrothiocin-5-ol
SMILESC/C1=C/C(C)C(O)C(C)(C)CCS1
InChIInChI=1S/C11H20OS/c1-8-7-9(2)13-6-5-11(3,4)10(8)12/h7-8,10,12H,5-6H2,1-4H3/b9-7-
InChIKeyOLKDMBSFFYISTK-CLFYSBASSA-N
MW200.35 g/mol
LogP3.05
Rot. Bonds

About (7Z)-4,4,6,8-tetramethyl-2,3,5,6-tetrahydrothiocin-5-ol

(7Z)-4,4,6,8-tetramethyl-2,3,5,6-tetrahydrothiocin-5-ol (PubChem CID 134355384) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is (7Z)-4,4,6,8-tetramethyl-2,3,5,6-tetrahydrothiocin-5-ol.

Molecular Properties

Compound Name(7Z)-4,4,6,8-tetramethyl-2,3,5,6-tetrahydrothiocin-5-ol
PubChem CID134355384
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name(7Z)-4,4,6,8-tetramethyl-2,3,5,6-tetrahydrothiocin-5-ol
SMILESC/C1=C/C(C)C(O)C(C)(C)CCS1
InChIInChI=1S/C11H20OS/c1-8-7-9(2)13-6-5-11(3,4)10(8)12/h7-8,10,12H,5-6H2,1-4H3/b9-7-
InChIKeyOLKDMBSFFYISTK-CLFYSBASSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (7Z)-4,4,6,8-tetramethyl-2,3,5,6-tetrahydrothiocin-5-ol 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 (7Z)-4,4,6,8-tetramethyl-2,3,5,6-tetrahydrothiocin-5-ol?
The IUPAC name of (7Z)-4,4,6,8-tetramethyl-2,3,5,6-tetrahydrothiocin-5-ol (CID 134355384) is (7Z)-4,4,6,8-tetramethyl-2,3,5,6-tetrahydrothiocin-5-ol.
What is the SMILES notation for (7Z)-4,4,6,8-tetramethyl-2,3,5,6-tetrahydrothiocin-5-ol?
The canonical SMILES for (7Z)-4,4,6,8-tetramethyl-2,3,5,6-tetrahydrothiocin-5-ol is C/C1=C/C(C)C(O)C(C)(C)CCS1.
What is the InChIKey of (7Z)-4,4,6,8-tetramethyl-2,3,5,6-tetrahydrothiocin-5-ol?
The InChIKey is OLKDMBSFFYISTK-CLFYSBASSA-N. The full InChI is InChI=1S/C11H20OS/c1-8-7-9(2)13-6-5-11(3,4)10(8)12/h7-8,10,12H,5-6H2,1-4H3/b9-7-.
What are the key properties of (7Z)-4,4,6,8-tetramethyl-2,3,5,6-tetrahydrothiocin-5-ol?
(7Z)-4,4,6,8-tetramethyl-2,3,5,6-tetrahydrothiocin-5-ol has a molecular weight of 200.35 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-4,4,6,8-tetramethyl-2,3,5,6-tetrahydrothiocin-5-ol is sourced from PubChem (CID 134355384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).