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119015-76-8 | 1,3,5-Trithiane, 2,4,6-tris(chloromethyl)-
CAS No: 119015-76-8 Catalog No: AG000P1W MDL No:
Product Description
Catalog Number:
AG000P1W
Chemical Name:
1,3,5-Trithiane, 2,4,6-tris(chloromethyl)-
CAS Number:
119015-76-8
Molecular Formula:
C6H9Cl3S3
Molecular Weight:
283.6897
IUPAC Name:
2,4,6-tris(chloromethyl)-1,3,5-trithiane
InChI:
InChI=1S/C6H9Cl3S3/c7-1-4-10-5(2-8)12-6(3-9)11-4/h4-6H,1-3H2
InChI Key:
ZJDIPQQCIUNYNT-UHFFFAOYSA-N
SMILES:
ClCC1SC(CCl)SC(S1)CCl
NSC Number:
30795
Properties
Complexity:
99.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.893g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.668g/mol
Monoisotopic Mass:
281.893g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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