3,8-dimethyl-4,9-dimethylidene-1,5-thiazonine

C11H13NS — CID 155459267

IUPAC3,8-dimethyl-4,9-dimethylidene-1,5-thiazonine
SMILESC=c1nccc(C)c(=C)scc1C
InChIInChI=1S/C11H13NS/c1-8-5-6-12-10(3)9(2)7-13-11(8)4/h5-7H,3-4H2,1-2H3/b8-5-,9-7-,12-6-
InChIKeyRTMAHSUWZIJLDD-YPLYZRRISA-N
MW191.30 g/mol
LogP1.70
Rot. Bonds

About 3,8-dimethyl-4,9-dimethylidene-1,5-thiazonine

3,8-dimethyl-4,9-dimethylidene-1,5-thiazonine (PubChem CID 155459267) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 3,8-dimethyl-4,9-dimethylidene-1,5-thiazonine.

Molecular Properties

Compound Name3,8-dimethyl-4,9-dimethylidene-1,5-thiazonine
PubChem CID155459267
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name3,8-dimethyl-4,9-dimethylidene-1,5-thiazonine
SMILESC=c1nccc(C)c(=C)scc1C
InChIInChI=1S/C11H13NS/c1-8-5-6-12-10(3)9(2)7-13-11(8)4/h5-7H,3-4H2,1-2H3/b8-5-,9-7-,12-6-
InChIKeyRTMAHSUWZIJLDD-YPLYZRRISA-N
XLogP1.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-4,9-dimethylidene-1,5-thiazonine?
The IUPAC name of 3,8-dimethyl-4,9-dimethylidene-1,5-thiazonine (CID 155459267) is 3,8-dimethyl-4,9-dimethylidene-1,5-thiazonine.
What is the SMILES notation for 3,8-dimethyl-4,9-dimethylidene-1,5-thiazonine?
The canonical SMILES for 3,8-dimethyl-4,9-dimethylidene-1,5-thiazonine is C=c1nccc(C)c(=C)scc1C.
What is the InChIKey of 3,8-dimethyl-4,9-dimethylidene-1,5-thiazonine?
The InChIKey is RTMAHSUWZIJLDD-YPLYZRRISA-N. The full InChI is InChI=1S/C11H13NS/c1-8-5-6-12-10(3)9(2)7-13-11(8)4/h5-7H,3-4H2,1-2H3/b8-5-,9-7-,12-6-.
What are the key properties of 3,8-dimethyl-4,9-dimethylidene-1,5-thiazonine?
3,8-dimethyl-4,9-dimethylidene-1,5-thiazonine has a molecular weight of 191.30 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-4,9-dimethylidene-1,5-thiazonine is sourced from PubChem (CID 155459267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).