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

C9H15NS — CID 173176392

IUPAC2-butyl-3-methyl-4H-1,4-thiazine
SMILESCCCCC1=C(C)NC=CS1
InChIInChI=1S/C9H15NS/c1-3-4-5-9-8(2)10-6-7-11-9/h6-7,10H,3-5H2,1-2H3
InChIKeyZNTUHQFHFGQUMA-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.22
Rot. Bonds3

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

2-butyl-3-methyl-4H-1,4-thiazine (PubChem CID 173176392) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 2-butyl-3-methyl-4H-1,4-thiazine.

Molecular Properties

Compound Name2-butyl-3-methyl-4H-1,4-thiazine
PubChem CID173176392
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name2-butyl-3-methyl-4H-1,4-thiazine
SMILESCCCCC1=C(C)NC=CS1
InChIInChI=1S/C9H15NS/c1-3-4-5-9-8(2)10-6-7-11-9/h6-7,10H,3-5H2,1-2H3
InChIKeyZNTUHQFHFGQUMA-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-methyl-4H-1,4-thiazine?
The IUPAC name of 2-butyl-3-methyl-4H-1,4-thiazine (CID 173176392) is 2-butyl-3-methyl-4H-1,4-thiazine.
What is the SMILES notation for 2-butyl-3-methyl-4H-1,4-thiazine?
The canonical SMILES for 2-butyl-3-methyl-4H-1,4-thiazine is CCCCC1=C(C)NC=CS1.
What is the InChIKey of 2-butyl-3-methyl-4H-1,4-thiazine?
The InChIKey is ZNTUHQFHFGQUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-3-4-5-9-8(2)10-6-7-11-9/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 2-butyl-3-methyl-4H-1,4-thiazine?
2-butyl-3-methyl-4H-1,4-thiazine has a molecular weight of 169.29 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-methyl-4H-1,4-thiazine is sourced from PubChem (CID 173176392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).