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Home > Nitro Compounds > 29866-34-0
29866-34-0 | 3,3-bis(methylsulfanyl)-2-(4-nitrophenyl)prop-2-enenitrile
CAS No: 29866-34-0 Catalog No: AG00ITVA MDL No:MFCD00111968
Product Description
Catalog Number:
AG00ITVA
Chemical Name:
3,3-bis(methylsulfanyl)-2-(4-nitrophenyl)prop-2-enenitrile
CAS Number:
29866-34-0
Molecular Formula:
C11H10N2O2S2
Molecular Weight:
266.3393
MDL Number:
MFCD00111968
IUPAC Name:
3,3-bis(methylsulfanyl)-2-(4-nitrophenyl)prop-2-enenitrile
InChI:
InChI=1S/C11H10N2O2S2/c1-16-11(17-2)10(7-12)8-3-5-9(6-4-8)13(14)15/h3-6H,1-2H3
InChI Key:
YACWILKTPVROSZ-UHFFFAOYSA-N
SMILES:
CSC(=C(c1ccc(cc1)[N+](=O)[O-])C#N)SC
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.018g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.333g/mol
Monoisotopic Mass:
266.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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