5-methyl-4H-thiazine

C5H7NS — CID 91234065

IUPAC5-methyl-4H-thiazine
SMILESCC1=CSN=CC1
InChIInChI=1S/C5H7NS/c1-5-2-3-6-7-4-5/h3-4H,2H2,1H3
InChIKeyBCGHZUOHJNOATB-UHFFFAOYSA-N
MW113.18 g/mol
LogP2.01
Rot. Bonds

About 5-methyl-4H-thiazine

5-methyl-4H-thiazine (PubChem CID 91234065) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is 5-methyl-4H-thiazine.

Molecular Properties

Compound Name5-methyl-4H-thiazine
PubChem CID91234065
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name5-methyl-4H-thiazine
SMILESCC1=CSN=CC1
InChIInChI=1S/C5H7NS/c1-5-2-3-6-7-4-5/h3-4H,2H2,1H3
InChIKeyBCGHZUOHJNOATB-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4H-thiazine?
The IUPAC name of 5-methyl-4H-thiazine (CID 91234065) is 5-methyl-4H-thiazine.
What is the SMILES notation for 5-methyl-4H-thiazine?
The canonical SMILES for 5-methyl-4H-thiazine is CC1=CSN=CC1.
What is the InChIKey of 5-methyl-4H-thiazine?
The InChIKey is BCGHZUOHJNOATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c1-5-2-3-6-7-4-5/h3-4H,2H2,1H3.
What are the key properties of 5-methyl-4H-thiazine?
5-methyl-4H-thiazine has a molecular weight of 113.18 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4H-thiazine is sourced from PubChem (CID 91234065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).