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90265-88-6 | 6-(methylthio)-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS No: 90265-88-6 Catalog No: AG00J0ZL MDL No:MFCD13193819
Product Description
Catalog Number:
AG00J0ZL
Chemical Name:
6-(methylthio)-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS Number:
90265-88-6
Molecular Formula:
C10H14ClNS
Molecular Weight:
215.7429
MDL Number:
MFCD13193819
IUPAC Name:
6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
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
InChI Key:
CCSXUBLWIGHBOL-UHFFFAOYSA-N
SMILES:
CSc1ccc2c(c1)CCNC2.Cl
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.739g/mol
Monoisotopic Mass:
215.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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