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101517-94-6 | 1,2,3,5,6-Pentathiepane, 4,7-dimethyl-
CAS No: 101517-94-6 Catalog No: AG0004PP MDL No:
Product Description
Catalog Number:
AG0004PP
Chemical Name:
1,2,3,5,6-Pentathiepane, 4,7-dimethyl-
CAS Number:
101517-94-6
Molecular Formula:
C4H8S5
Molecular Weight:
216.4313
IUPAC Name:
4,7-dimethyl-1,2,3,5,6-pentathiepane
InChI:
InChI=1S/C4H8S5/c1-3-5-6-4(2)8-9-7-3/h3-4H,1-2H3
InChI Key:
NGHSPVUOJNZCHU-UHFFFAOYSA-N
SMILES:
CC1SSSC(SS1)C
Properties
Complexity:
75
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.923g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.408g/mol
Monoisotopic Mass:
215.923g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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