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77469-26-2 | Benzothiazole, 3a,4,5,6,7,7a-hexahydro-2-methyl-, cis-
CAS No: 77469-26-2 Catalog No: AG005B2X MDL No:
Product Description
Catalog Number:
AG005B2X
Chemical Name:
Benzothiazole, 3a,4,5,6,7,7a-hexahydro-2-methyl-, cis-
CAS Number:
77469-26-2
Molecular Formula:
C8H13NS
Molecular Weight:
155.2605
IUPAC Name:
(3aR,7aS)-2-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole
InChI:
InChI=1S/C8H13NS/c1-6-9-7-4-2-3-5-8(7)10-6/h7-8H,2-5H2,1H3/t7-,8+/m1/s1
InChI Key:
UASMLVPXGAKINA-SFYZADRCSA-N
SMILES:
CC1=N[C@H]2[C@@H](S1)CCCC2
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
155.077g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.259g/mol
Monoisotopic Mass:
155.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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