(3Z,8Z)-7-methylidene-2H-1,5-thiazonine

C8H9NS — CID 170236222

IUPAC(3Z,8Z)-7-methylidene-2H-1,5-thiazonine
SMILESC=C1/C=C\SC/C=C\N=C\1
InChIInChI=1S/C8H9NS/c1-8-3-6-10-5-2-4-9-7-8/h2-4,6-7H,1,5H2/b4-2-,6-3-,9-7-
InChIKeyKWVGBSSBVXMLQK-IAMQLFHJSA-N
MW151.23 g/mol
LogP2.39
Rot. Bonds

About (3Z,8Z)-7-methylidene-2H-1,5-thiazonine

(3Z,8Z)-7-methylidene-2H-1,5-thiazonine (PubChem CID 170236222) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is (3Z,8Z)-7-methylidene-2H-1,5-thiazonine.

Molecular Properties

Compound Name(3Z,8Z)-7-methylidene-2H-1,5-thiazonine
PubChem CID170236222
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name(3Z,8Z)-7-methylidene-2H-1,5-thiazonine
SMILESC=C1/C=C\SC/C=C\N=C\1
InChIInChI=1S/C8H9NS/c1-8-3-6-10-5-2-4-9-7-8/h2-4,6-7H,1,5H2/b4-2-,6-3-,9-7-
InChIKeyKWVGBSSBVXMLQK-IAMQLFHJSA-N
XLogP2.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3Z,8Z)-7-methylidene-2H-1,5-thiazonine?
The IUPAC name of (3Z,8Z)-7-methylidene-2H-1,5-thiazonine (CID 170236222) is (3Z,8Z)-7-methylidene-2H-1,5-thiazonine.
What is the SMILES notation for (3Z,8Z)-7-methylidene-2H-1,5-thiazonine?
The canonical SMILES for (3Z,8Z)-7-methylidene-2H-1,5-thiazonine is C=C1/C=C\SC/C=C\N=C\1.
What is the InChIKey of (3Z,8Z)-7-methylidene-2H-1,5-thiazonine?
The InChIKey is KWVGBSSBVXMLQK-IAMQLFHJSA-N. The full InChI is InChI=1S/C8H9NS/c1-8-3-6-10-5-2-4-9-7-8/h2-4,6-7H,1,5H2/b4-2-,6-3-,9-7-.
What are the key properties of (3Z,8Z)-7-methylidene-2H-1,5-thiazonine?
(3Z,8Z)-7-methylidene-2H-1,5-thiazonine has a molecular weight of 151.23 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,8Z)-7-methylidene-2H-1,5-thiazonine is sourced from PubChem (CID 170236222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).