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87647-18-5 | Acetonitrile, bis(ethylthio)-
CAS No: 87647-18-5 Catalog No: AG004L0R MDL No:
Product Description
Catalog Number:
AG004L0R
Chemical Name:
Acetonitrile, bis(ethylthio)-
CAS Number:
87647-18-5
Molecular Formula:
C6H11NS2
Molecular Weight:
161.2882
IUPAC Name:
2,2-bis(ethylsulfanyl)acetonitrile
InChI:
InChI=1S/C6H11NS2/c1-3-8-6(5-7)9-4-2/h6H,3-4H2,1-2H3
InChI Key:
XFEMWFOXGHVZSV-UHFFFAOYSA-N
SMILES:
CCSC(C#N)SCC
Properties
Complexity:
98.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.033g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.281g/mol
Monoisotopic Mass:
161.033g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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