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1628-45-1 | 3-Methyl-4,5,6,7-tetrahydrobenzothiazole-2(3H)-thione
CAS No: 1628-45-1 Catalog No: AG00B48V MDL No:
Product Description
Catalog Number:
AG00B48V
Chemical Name:
3-Methyl-4,5,6,7-tetrahydrobenzothiazole-2(3H)-thione
CAS Number:
1628-45-1
IUPAC Name:
3-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C8H11NS2/c1-9-6-4-2-3-5-7(6)11-8(9)10/h2-5H2,1H3
InChI Key:
HCHWZEAGBIJCFF-UHFFFAOYSA-N
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.033g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.303g/mol
Monoisotopic Mass:
185.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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