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87973-74-8 | 1,3-Dithiepane, 2-(1-methylethyl)-
CAS No: 87973-74-8 Catalog No: AG004LWY MDL No:
Product Description
Catalog Number:
AG004LWY
Chemical Name:
1,3-Dithiepane, 2-(1-methylethyl)-
CAS Number:
87973-74-8
Molecular Formula:
C8H16S2
Molecular Weight:
176.3426
IUPAC Name:
2-propan-2-yl-1,3-dithiepane
InChI:
InChI=1S/C8H16S2/c1-7(2)8-9-5-3-4-6-10-8/h7-8H,3-6H2,1-2H3
InChI Key:
UHPGVDQTRTUEMO-UHFFFAOYSA-N
SMILES:
CC(C1SCCCCS1)C
Properties
Complexity:
83.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.069g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.336g/mol
Monoisotopic Mass:
176.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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