4-butyl-2,6-dimethyl-1,3,5-dithiazinane

C9H19NS2 — CID 529058

IUPAC4-butyl-2,6-dimethyl-1,3,5-dithiazinane
SMILESCCCCC1NC(C)SC(C)S1
InChIInChI=1S/C9H19NS2/c1-4-5-6-9-10-7(2)11-8(3)12-9/h7-10H,4-6H2,1-3H3
InChIKeyZGCDSMJNRUXZGG-UHFFFAOYSA-N
MW205.39 g/mol
LogP3.26
Rot. Bonds3

About 4-butyl-2,6-dimethyl-1,3,5-dithiazinane

4-butyl-2,6-dimethyl-1,3,5-dithiazinane (PubChem CID 529058) has the molecular formula C9H19NS2 and a molecular weight of 205.39 g/mol. Its IUPAC name is 4-butyl-2,6-dimethyl-1,3,5-dithiazinane.

Molecular Properties

Compound Name4-butyl-2,6-dimethyl-1,3,5-dithiazinane
PubChem CID529058
Molecular FormulaC9H19NS2
Molecular Weight205.39 g/mol
Exact Mass205.10
IUPAC Name4-butyl-2,6-dimethyl-1,3,5-dithiazinane
SMILESCCCCC1NC(C)SC(C)S1
InChIInChI=1S/C9H19NS2/c1-4-5-6-9-10-7(2)11-8(3)12-9/h7-10H,4-6H2,1-3H3
InChIKeyZGCDSMJNRUXZGG-UHFFFAOYSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-Triisobutyl-5,6-dihydro-4H-1,3,5-dithiazine
CID 46941523
2,4,6-Triethyl-1,3,5-dithiazinane
CID 547350
2-Ethyl-4,6-dimethyldihydro-1,3,5-dithiazine
CID 529054
2-Isopropyl-4,6-dimethyldihydro-1,3,5-dithiazine
CID 529055
Dihydro-2,4-dimethyl-6-(1-methylethyl)-4H-1,3,5-dithiazine
CID 529052
4-Isobutyl-2,6-dimethyl-1,3,5-dithiazinane
CID 71587382
2-Propyl-1,3-thiazinane
CID 200393
Dihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine
CID 88623012
4-Ethyldihydro-2,6-dimethyl-4H-1,3,5-dithiazine
CID 528360
2-Propyl-1,3-thiazinane--hydrogen chloride (1/1)
CID 3061402
2H-1,3-Thiazine, tetrahydro-2-butyl-, hydrochloride
CID 3061405
2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1)
CID 3061407

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2,6-dimethyl-1,3,5-dithiazinane?
The IUPAC name of 4-butyl-2,6-dimethyl-1,3,5-dithiazinane (CID 529058) is 4-butyl-2,6-dimethyl-1,3,5-dithiazinane.
What is the SMILES notation for 4-butyl-2,6-dimethyl-1,3,5-dithiazinane?
The canonical SMILES for 4-butyl-2,6-dimethyl-1,3,5-dithiazinane is CCCCC1NC(C)SC(C)S1.
What is the InChIKey of 4-butyl-2,6-dimethyl-1,3,5-dithiazinane?
The InChIKey is ZGCDSMJNRUXZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS2/c1-4-5-6-9-10-7(2)11-8(3)12-9/h7-10H,4-6H2,1-3H3.
What are the key properties of 4-butyl-2,6-dimethyl-1,3,5-dithiazinane?
4-butyl-2,6-dimethyl-1,3,5-dithiazinane has a molecular weight of 205.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2,6-dimethyl-1,3,5-dithiazinane is sourced from PubChem (CID 529058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).