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

C12H21NS — CID 173177242

IUPAC2,3-dibutyl-4H-1,4-thiazine
SMILESCCCCC1=C(CCCC)SC=CN1
InChIInChI=1S/C12H21NS/c1-3-5-7-11-12(8-6-4-2)14-10-9-13-11/h9-10,13H,3-8H2,1-2H3
InChIKeyXETLTXXYPYXYGQ-UHFFFAOYSA-N
MW211.37 g/mol
LogP4.39
Rot. Bonds6

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

2,3-dibutyl-4H-1,4-thiazine (PubChem CID 173177242) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 2,3-dibutyl-4H-1,4-thiazine.

Molecular Properties

Compound Name2,3-dibutyl-4H-1,4-thiazine
PubChem CID173177242
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name2,3-dibutyl-4H-1,4-thiazine
SMILESCCCCC1=C(CCCC)SC=CN1
InChIInChI=1S/C12H21NS/c1-3-5-7-11-12(8-6-4-2)14-10-9-13-11/h9-10,13H,3-8H2,1-2H3
InChIKeyXETLTXXYPYXYGQ-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dipentyl-4H-1,4-thiazine
CID 173177311
3-methyl-2-pentyl-4H-1,4-thiazine
CID 173177008
3-methyl-2-nonyl-4H-1,4-thiazine
CID 173177284
2-hexyl-4H-1,4-thiazine
CID 173177012
4-butyl-2-methyl-5-propyl-2,3-dihydro-1H-imidazole
CID 142423599
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
5,6-dibutyl-1,2-benzothiazol-3-one
CID 165391065
2-pentyl-1H-1,3-diazepine
CID 67931914
2-butyl-1,3,5-trimethylbenzene
CID 527298
4,10-dibutyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 132606259
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
hexane;tetrahydrochloride
CID 18520801

Frequently Asked Questions

What is the IUPAC name of 2,3-dibutyl-4H-1,4-thiazine?
The IUPAC name of 2,3-dibutyl-4H-1,4-thiazine (CID 173177242) is 2,3-dibutyl-4H-1,4-thiazine.
What is the SMILES notation for 2,3-dibutyl-4H-1,4-thiazine?
The canonical SMILES for 2,3-dibutyl-4H-1,4-thiazine is CCCCC1=C(CCCC)SC=CN1.
What is the InChIKey of 2,3-dibutyl-4H-1,4-thiazine?
The InChIKey is XETLTXXYPYXYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-3-5-7-11-12(8-6-4-2)14-10-9-13-11/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 2,3-dibutyl-4H-1,4-thiazine?
2,3-dibutyl-4H-1,4-thiazine has a molecular weight of 211.37 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibutyl-4H-1,4-thiazine is sourced from PubChem (CID 173177242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).