Xylazine Hydrochloride

C12H17ClN2S — CID 68554

IUPACN-(2,6-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrochloride
SMILESCC1=C(C(=CC=C1)C)NC2=NCCCS2.Cl
InChIInChI=1S/C12H16N2S.ClH/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12;/h3,5-6H,4,7-8H2,1-2H3,(H,13,14);1H
InChIKeyQYEFBJRXKKSABU-UHFFFAOYSA-N
MW256.80 g/mol
LogP—
Rot. Bonds2

About Xylazine Hydrochloride

Xylazine Hydrochloride (PubChem CID 68554) has the molecular formula C12H17ClN2S and a molecular weight of 256.80 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrochloride.

Molecular Properties

Compound NameXylazine Hydrochloride
PubChem CID68554
Molecular FormulaC12H17ClN2S
Molecular Weight256.80 g/mol
Exact Mass256.08
IUPAC NameN-(2,6-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrochloride
SMILESCC1=C(C(=CC=C1)C)NC2=NCCCS2.Cl
InChIInChI=1S/C12H16N2S.ClH/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12;/h3,5-6H,4,7-8H2,1-2H3,(H,13,14);1H
InChIKeyQYEFBJRXKKSABU-UHFFFAOYSA-N
XLogP—
TPSA49.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity230

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Xylazine Hydrochloride?
The IUPAC name of Xylazine Hydrochloride (CID 68554) is N-(2,6-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrochloride.
What is the SMILES notation for Xylazine Hydrochloride?
The canonical SMILES for Xylazine Hydrochloride is CC1=C(C(=CC=C1)C)NC2=NCCCS2.Cl.
What is the InChIKey of Xylazine Hydrochloride?
The InChIKey is QYEFBJRXKKSABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S.ClH/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12;/h3,5-6H,4,7-8H2,1-2H3,(H,13,14);1H.
What are the key properties of Xylazine Hydrochloride?
Xylazine Hydrochloride has a molecular weight of 256.80 g/mol, XLogP of not available, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Xylazine Hydrochloride is sourced from PubChem (CID 68554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).