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125617-58-5 | 1,2,3-Trithiepane, 5-methyl-4-(3,7,11-trimethyldodecyl)-
CAS No: 125617-58-5 Catalog No: AG000NYT MDL No:
Product Description
Catalog Number:
AG000NYT
Chemical Name:
1,2,3-Trithiepane, 5-methyl-4-(3,7,11-trimethyldodecyl)-
CAS Number:
125617-58-5
Molecular Formula:
C20H40S3
Molecular Weight:
376.7266
IUPAC Name:
5-methyl-4-(3,7,11-trimethyldodecyl)trithiepane
InChI:
InChI=1S/C20H40S3/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-20-19(5)14-15-21-23-22-20/h16-20H,6-15H2,1-5H3
InChI Key:
PQHDOVBWQWDMQL-UHFFFAOYSA-N
SMILES:
CC(CCC1SSSCCC1C)CCCC(CCCC(C)C)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.229g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.72g/mol
Monoisotopic Mass:
376.229g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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