2-(4-chlorothiophen-2-yl)-4-methyl-1,3-thiazinane

C9H12ClNS2 — CID 79427656

IUPAC2-(4-chlorothiophen-2-yl)-4-methyl-1,3-thiazinane
SMILESCC1CCSC(c2cc(Cl)cs2)N1
InChIInChI=1S/C9H12ClNS2/c1-6-2-3-12-9(11-6)8-4-7(10)5-13-8/h4-6,9,11H,2-3H2,1H3
InChIKeyNGDPLTYTGVNESV-UHFFFAOYSA-N
MW233.79 g/mol
LogP3.52
Rot. Bonds1

About 2-(4-chlorothiophen-2-yl)-4-methyl-1,3-thiazinane

2-(4-chlorothiophen-2-yl)-4-methyl-1,3-thiazinane (PubChem CID 79427656) has the molecular formula C9H12ClNS2 and a molecular weight of 233.79 g/mol. Its IUPAC name is 2-(4-chlorothiophen-2-yl)-4-methyl-1,3-thiazinane.

Molecular Properties

Compound Name2-(4-chlorothiophen-2-yl)-4-methyl-1,3-thiazinane
PubChem CID79427656
Molecular FormulaC9H12ClNS2
Molecular Weight233.79 g/mol
Exact Mass233.01
IUPAC Name2-(4-chlorothiophen-2-yl)-4-methyl-1,3-thiazinane
SMILESCC1CCSC(c2cc(Cl)cs2)N1
InChIInChI=1S/C9H12ClNS2/c1-6-2-3-12-9(11-6)8-4-7(10)5-13-8/h4-6,9,11H,2-3H2,1H3
InChIKeyNGDPLTYTGVNESV-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.79
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorothiophen-2-yl)-4-methyl-1,3-thiazinane?
The IUPAC name of 2-(4-chlorothiophen-2-yl)-4-methyl-1,3-thiazinane (CID 79427656) is 2-(4-chlorothiophen-2-yl)-4-methyl-1,3-thiazinane.
What is the SMILES notation for 2-(4-chlorothiophen-2-yl)-4-methyl-1,3-thiazinane?
The canonical SMILES for 2-(4-chlorothiophen-2-yl)-4-methyl-1,3-thiazinane is CC1CCSC(c2cc(Cl)cs2)N1.
What is the InChIKey of 2-(4-chlorothiophen-2-yl)-4-methyl-1,3-thiazinane?
The InChIKey is NGDPLTYTGVNESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNS2/c1-6-2-3-12-9(11-6)8-4-7(10)5-13-8/h4-6,9,11H,2-3H2,1H3.
What are the key properties of 2-(4-chlorothiophen-2-yl)-4-methyl-1,3-thiazinane?
2-(4-chlorothiophen-2-yl)-4-methyl-1,3-thiazinane has a molecular weight of 233.79 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorothiophen-2-yl)-4-methyl-1,3-thiazinane is sourced from PubChem (CID 79427656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).