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

C5H7NS — CID 134180357

IUPAC5-methyl-2H-1,4-thiazine
SMILESCC1=CSCC=N1
InChIInChI=1S/C5H7NS/c1-5-4-7-3-2-6-5/h2,4H,3H2,1H3
InChIKeyPKSZHSFFNSVHQH-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.67
Rot. Bonds

About 5-methyl-2H-1,4-thiazine

5-methyl-2H-1,4-thiazine (PubChem CID 134180357) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is 5-methyl-2H-1,4-thiazine.

Molecular Properties

Compound Name5-methyl-2H-1,4-thiazine
PubChem CID134180357
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name5-methyl-2H-1,4-thiazine
SMILESCC1=CSCC=N1
InChIInChI=1S/C5H7NS/c1-5-4-7-3-2-6-5/h2,4H,3H2,1H3
InChIKeyPKSZHSFFNSVHQH-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 5-methyl-2H-1,4-thiazine?
The IUPAC name of 5-methyl-2H-1,4-thiazine (CID 134180357) is 5-methyl-2H-1,4-thiazine.
What is the SMILES notation for 5-methyl-2H-1,4-thiazine?
The canonical SMILES for 5-methyl-2H-1,4-thiazine is CC1=CSCC=N1.
What is the InChIKey of 5-methyl-2H-1,4-thiazine?
The InChIKey is PKSZHSFFNSVHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c1-5-4-7-3-2-6-5/h2,4H,3H2,1H3.
What are the key properties of 5-methyl-2H-1,4-thiazine?
5-methyl-2H-1,4-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 5-methyl-2H-1,4-thiazine is sourced from PubChem (CID 134180357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).