1-chloro-1-methyl-1,2-thiazol-3-one

C4H6ClNOS — CID 19989398

IUPAC1-chloro-1-methyl-1,2-thiazol-3-one
SMILESCS1(Cl)C=CC(=O)N1
InChIInChI=1S/C4H6ClNOS/c1-8(5)3-2-4(7)6-8/h2-3H,1H3,(H,6,7)
InChIKeyLFZUTQKOUBAIMN-UHFFFAOYSA-N
MW151.62 g/mol
LogP1.13
Rot. Bonds

About 1-chloro-1-methyl-1,2-thiazol-3-one

1-chloro-1-methyl-1,2-thiazol-3-one (PubChem CID 19989398) has the molecular formula C4H6ClNOS and a molecular weight of 151.62 g/mol. Its IUPAC name is 1-chloro-1-methyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name1-chloro-1-methyl-1,2-thiazol-3-one
PubChem CID19989398
Molecular FormulaC4H6ClNOS
Molecular Weight151.62 g/mol
Exact Mass150.99
IUPAC Name1-chloro-1-methyl-1,2-thiazol-3-one
SMILESCS1(Cl)C=CC(=O)N1
InChIInChI=1S/C4H6ClNOS/c1-8(5)3-2-4(7)6-8/h2-3H,1H3,(H,6,7)
InChIKeyLFZUTQKOUBAIMN-UHFFFAOYSA-N
XLogP1.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.62
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-methyl-1,2-thiazol-3-one?
The IUPAC name of 1-chloro-1-methyl-1,2-thiazol-3-one (CID 19989398) is 1-chloro-1-methyl-1,2-thiazol-3-one.
What is the SMILES notation for 1-chloro-1-methyl-1,2-thiazol-3-one?
The canonical SMILES for 1-chloro-1-methyl-1,2-thiazol-3-one is CS1(Cl)C=CC(=O)N1.
What is the InChIKey of 1-chloro-1-methyl-1,2-thiazol-3-one?
The InChIKey is LFZUTQKOUBAIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClNOS/c1-8(5)3-2-4(7)6-8/h2-3H,1H3,(H,6,7).
What are the key properties of 1-chloro-1-methyl-1,2-thiazol-3-one?
1-chloro-1-methyl-1,2-thiazol-3-one has a molecular weight of 151.62 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-methyl-1,2-thiazol-3-one is sourced from PubChem (CID 19989398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).