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796975-09-2 | 2H,8H-1,7,4-Dithiazecine, hexahydro-4-methyl-
CAS No: 796975-09-2 Catalog No: AG0050UX MDL No:
Product Description
Catalog Number:
AG0050UX
Chemical Name:
2H,8H-1,7,4-Dithiazecine, hexahydro-4-methyl-
CAS Number:
796975-09-2
Molecular Formula:
C8H17NS2
Molecular Weight:
191.3573
IUPAC Name:
4-methyl-1,7,4-dithiazecane
InChI:
InChI=1S/C8H17NS2/c1-9-3-7-10-5-2-6-11-8-4-9/h2-8H2,1H3
InChI Key:
CXKPAYQSQUJDBE-UHFFFAOYSA-N
SMILES:
CN1CCSCCCSCC1
Properties
Complexity:
88.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.08g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.351g/mol
Monoisotopic Mass:
191.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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