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113502-34-4 | 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-bis(methylthio)-
CAS No: 113502-34-4 Catalog No: AG0008SZ MDL No:
Product Description
Catalog Number:
AG0008SZ
Chemical Name:
1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-bis(methylthio)-
CAS Number:
113502-34-4
Molecular Formula:
C7H6S7
Molecular Weight:
314.5775
IUPAC Name:
5,6-bis(methylsulfanyl)-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione
InChI:
InChI=1S/C7H6S7/c1-9-3-4(10-2)12-6-5(11-3)13-7(8)14-6/h1-2H3
InChI Key:
RTJHIVWMZGAWSI-UHFFFAOYSA-N
SMILES:
CSC1=C(SC)Sc2c(S1)sc(=S)s2
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.851g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.545g/mol
Monoisotopic Mass:
313.851g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
184A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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