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13005-82-8 | 1,2,3-Trithiepin, 4,7-dihydro-
CAS No: 13005-82-8 Catalog No: AG000TYO MDL No:
Product Description
Catalog Number:
AG000TYO
Chemical Name:
1,2,3-Trithiepin, 4,7-dihydro-
CAS Number:
13005-82-8
Molecular Formula:
C4H6S3
Molecular Weight:
150.2854
IUPAC Name:
4,7-dihydrotrithiepine
InChI:
InChI=1S/C4H6S3/c1-2-4-6-7-5-3-1/h1-2H,3-4H2
InChI Key:
MXSCIZUZMRVGGL-UHFFFAOYSA-N
SMILES:
S1SCC=CCS1
Properties
Complexity:
61.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.963g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.272g/mol
Monoisotopic Mass:
149.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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