(4Z)-4-ethylidene-9-methylidene-1,5-thiazonine

C10H11NS — CID 137495089

IUPAC(4Z)-4-ethylidene-9-methylidene-1,5-thiazonine
SMILESC=c1cccn/c(=C\C)ccs1
InChIInChI=1S/C10H11NS/c1-3-10-6-8-12-9(2)5-4-7-11-10/h3-8H,2H2,1H3/b5-4-,8-6-,10-3-,11-7-
InChIKeyYUASMOMEPVYYIP-ROMWKIMTSA-N
MW177.27 g/mol
LogP1.48
Rot. Bonds

About (4Z)-4-ethylidene-9-methylidene-1,5-thiazonine

(4Z)-4-ethylidene-9-methylidene-1,5-thiazonine (PubChem CID 137495089) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is (4Z)-4-ethylidene-9-methylidene-1,5-thiazonine.

Molecular Properties

Compound Name(4Z)-4-ethylidene-9-methylidene-1,5-thiazonine
PubChem CID137495089
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name(4Z)-4-ethylidene-9-methylidene-1,5-thiazonine
SMILESC=c1cccn/c(=C\C)ccs1
InChIInChI=1S/C10H11NS/c1-3-10-6-8-12-9(2)5-4-7-11-10/h3-8H,2H2,1H3/b5-4-,8-6-,10-3-,11-7-
InChIKeyYUASMOMEPVYYIP-ROMWKIMTSA-N
XLogP1.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethylidene-9-methylidene-1,5-thiazonine?
The IUPAC name of (4Z)-4-ethylidene-9-methylidene-1,5-thiazonine (CID 137495089) is (4Z)-4-ethylidene-9-methylidene-1,5-thiazonine.
What is the SMILES notation for (4Z)-4-ethylidene-9-methylidene-1,5-thiazonine?
The canonical SMILES for (4Z)-4-ethylidene-9-methylidene-1,5-thiazonine is C=c1cccn/c(=C\C)ccs1.
What is the InChIKey of (4Z)-4-ethylidene-9-methylidene-1,5-thiazonine?
The InChIKey is YUASMOMEPVYYIP-ROMWKIMTSA-N. The full InChI is InChI=1S/C10H11NS/c1-3-10-6-8-12-9(2)5-4-7-11-10/h3-8H,2H2,1H3/b5-4-,8-6-,10-3-,11-7-.
What are the key properties of (4Z)-4-ethylidene-9-methylidene-1,5-thiazonine?
(4Z)-4-ethylidene-9-methylidene-1,5-thiazonine has a molecular weight of 177.27 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethylidene-9-methylidene-1,5-thiazonine is sourced from PubChem (CID 137495089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).