2-methyl-1,3-thiazonine

C8H9NS — CID 137435790

IUPAC2-methyl-1,3-thiazonine
SMILESCc1nccccccs1
InChIInChI=1S/C8H9NS/c1-8-9-6-4-2-3-5-7-10-8/h2-7H,1H3/b3-2-,6-4-,7-5-,9-8-
InChIKeySNNDACIVEJDNHB-MOIVGGMHSA-N
MW151.23 g/mol
LogP2.58
Rot. Bonds

About 2-methyl-1,3-thiazonine

2-methyl-1,3-thiazonine (PubChem CID 137435790) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 2-methyl-1,3-thiazonine.

Molecular Properties

Compound Name2-methyl-1,3-thiazonine
PubChem CID137435790
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name2-methyl-1,3-thiazonine
SMILESCc1nccccccs1
InChIInChI=1S/C8H9NS/c1-8-9-6-4-2-3-5-7-10-8/h2-7H,1H3/b3-2-,6-4-,7-5-,9-8-
InChIKeySNNDACIVEJDNHB-MOIVGGMHSA-N
XLogP2.58
TPSA12.89 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 ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-thiazonine?
The IUPAC name of 2-methyl-1,3-thiazonine (CID 137435790) is 2-methyl-1,3-thiazonine.
What is the SMILES notation for 2-methyl-1,3-thiazonine?
The canonical SMILES for 2-methyl-1,3-thiazonine is Cc1nccccccs1.
What is the InChIKey of 2-methyl-1,3-thiazonine?
The InChIKey is SNNDACIVEJDNHB-MOIVGGMHSA-N. The full InChI is InChI=1S/C8H9NS/c1-8-9-6-4-2-3-5-7-10-8/h2-7H,1H3/b3-2-,6-4-,7-5-,9-8-.
What are the key properties of 2-methyl-1,3-thiazonine?
2-methyl-1,3-thiazonine has a molecular weight of 151.23 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-thiazonine is sourced from PubChem (CID 137435790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).