2,3-dimethyl-2,4-dihydro-1,3-thiazine;hydrochloride

C6H12ClNS — CID 173435603

IUPAC2,3-dimethyl-2,4-dihydro-1,3-thiazine;hydrochloride
SMILESCC1SC=CCN1C.Cl
InChIInChI=1S/C6H11NS.ClH/c1-6-7(2)4-3-5-8-6;/h3,5-6H,4H2,1-2H3;1H
InChIKeyDLJGRHTVTOQTIU-UHFFFAOYSA-N
MW165.69 g/mol
LogP1.95
Rot. Bonds

About 2,3-dimethyl-2,4-dihydro-1,3-thiazine;hydrochloride

2,3-dimethyl-2,4-dihydro-1,3-thiazine;hydrochloride (PubChem CID 173435603) has the molecular formula C6H12ClNS and a molecular weight of 165.69 g/mol. Its IUPAC name is 2,3-dimethyl-2,4-dihydro-1,3-thiazine;hydrochloride.

Molecular Properties

Compound Name2,3-dimethyl-2,4-dihydro-1,3-thiazine;hydrochloride
PubChem CID173435603
Molecular FormulaC6H12ClNS
Molecular Weight165.69 g/mol
Exact Mass165.04
IUPAC Name2,3-dimethyl-2,4-dihydro-1,3-thiazine;hydrochloride
SMILESCC1SC=CCN1C.Cl
InChIInChI=1S/C6H11NS.ClH/c1-6-7(2)4-3-5-8-6;/h3,5-6H,4H2,1-2H3;1H
InChIKeyDLJGRHTVTOQTIU-UHFFFAOYSA-N
XLogP1.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.69
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2,4-dihydro-1,3-thiazine;hydrochloride?
The IUPAC name of 2,3-dimethyl-2,4-dihydro-1,3-thiazine;hydrochloride (CID 173435603) is 2,3-dimethyl-2,4-dihydro-1,3-thiazine;hydrochloride.
What is the SMILES notation for 2,3-dimethyl-2,4-dihydro-1,3-thiazine;hydrochloride?
The canonical SMILES for 2,3-dimethyl-2,4-dihydro-1,3-thiazine;hydrochloride is CC1SC=CCN1C.Cl.
What is the InChIKey of 2,3-dimethyl-2,4-dihydro-1,3-thiazine;hydrochloride?
The InChIKey is DLJGRHTVTOQTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS.ClH/c1-6-7(2)4-3-5-8-6;/h3,5-6H,4H2,1-2H3;1H.
What are the key properties of 2,3-dimethyl-2,4-dihydro-1,3-thiazine;hydrochloride?
2,3-dimethyl-2,4-dihydro-1,3-thiazine;hydrochloride has a molecular weight of 165.69 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2,4-dihydro-1,3-thiazine;hydrochloride is sourced from PubChem (CID 173435603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).