4-methyl-2H-1,3-thiazine

C5H7NS — CID 123627160

IUPAC4-methyl-2H-1,3-thiazine
SMILESCC1=NCSC=C1
InChIInChI=1S/C5H7NS/c1-5-2-3-7-4-6-5/h2-3H,4H2,1H3
InChIKeyYWTVEQOZSIZTEI-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.67
Rot. Bonds

About 4-methyl-2H-1,3-thiazine

4-methyl-2H-1,3-thiazine (PubChem CID 123627160) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is 4-methyl-2H-1,3-thiazine.

Molecular Properties

Compound Name4-methyl-2H-1,3-thiazine
PubChem CID123627160
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name4-methyl-2H-1,3-thiazine
SMILESCC1=NCSC=C1
InChIInChI=1S/C5H7NS/c1-5-2-3-7-4-6-5/h2-3H,4H2,1H3
InChIKeyYWTVEQOZSIZTEI-UHFFFAOYSA-N
XLogP1.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2H-1,3-thiazine?
The IUPAC name of 4-methyl-2H-1,3-thiazine (CID 123627160) is 4-methyl-2H-1,3-thiazine.
What is the SMILES notation for 4-methyl-2H-1,3-thiazine?
The canonical SMILES for 4-methyl-2H-1,3-thiazine is CC1=NCSC=C1.
What is the InChIKey of 4-methyl-2H-1,3-thiazine?
The InChIKey is YWTVEQOZSIZTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c1-5-2-3-7-4-6-5/h2-3H,4H2,1H3.
What are the key properties of 4-methyl-2H-1,3-thiazine?
4-methyl-2H-1,3-thiazine has a molecular weight of 113.18 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2H-1,3-thiazine is sourced from PubChem (CID 123627160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).