6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C10H14ClNS — CID 71429514

IUPAC6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCSc1ccc2c(c1)CCNC2.Cl
InChIInChI=1S/C10H13NS.ClH/c1-12-10-3-2-9-7-11-5-4-8(9)6-10;/h2-3,6,11H,4-5,7H2,1H3;1H
InChIKeyCCSXUBLWIGHBOL-UHFFFAOYSA-N
MW215.75 g/mol
LogP2.48
Rot. Bonds1

About 6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 71429514) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is 6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID71429514
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCSc1ccc2c(c1)CCNC2.Cl
InChIInChI=1S/C10H13NS.ClH/c1-12-10-3-2-9-7-11-5-4-8(9)6-10;/h2-3,6,11H,4-5,7H2,1H3;1H
InChIKeyCCSXUBLWIGHBOL-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 71429514) is 6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is CSc1ccc2c(c1)CCNC2.Cl.
What is the InChIKey of 6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is CCSXUBLWIGHBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS.ClH/c1-12-10-3-2-9-7-11-5-4-8(9)6-10;/h2-3,6,11H,4-5,7H2,1H3;1H.
What are the key properties of 6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 215.75 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 71429514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).