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113768-96-0 | 1,3-Dithiolo[4,5-d][1,3,6]oxadithiepin, 2-(ethylthio)-
CAS No: 113768-96-0 Catalog No: AG0009LW MDL No:
Product Description
Catalog Number:
AG0009LW
Chemical Name:
1,3-Dithiolo[4,5-d][1,3,6]oxadithiepin, 2-(ethylthio)-
CAS Number:
113768-96-0
Molecular Formula:
C7H10OS5
Molecular Weight:
270.4787
IUPAC Name:
2-ethylsulfanyl-[1,3]dithiolo[4,5-d][1,3,6]oxadithiepine
InChI:
InChI=1S/C7H10OS5/c1-2-9-7-12-5-6(13-7)11-4-8-3-10-5/h7H,2-4H2,1H3
InChI Key:
YWURWWMYJDJEHJ-UHFFFAOYSA-N
SMILES:
CCSC1SC2=C(S1)SCOCS2
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.934g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.456g/mol
Monoisotopic Mass:
269.934g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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