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Home > Nitro Compounds > 71908-81-1
71908-81-1 | Thiophene, 2-methoxy-5-(methylthio)-3-(2-nitro-1-propenyl)-
CAS No: 71908-81-1 Catalog No: AG005P7K MDL No:
Product Description
Catalog Number:
AG005P7K
Chemical Name:
Thiophene, 2-methoxy-5-(methylthio)-3-(2-nitro-1-propenyl)-
CAS Number:
71908-81-1
Molecular Formula:
C9H11NO3S2
Molecular Weight:
245.3185
IUPAC Name:
2-methoxy-5-methylsulfanyl-3-(2-nitroprop-1-enyl)thiophene
InChI:
InChI=1S/C9H11NO3S2/c1-6(10(11)12)4-7-5-8(14-3)15-9(7)13-2/h4-5H,1-3H3
InChI Key:
HYLPFANJDMLVKS-UHFFFAOYSA-N
SMILES:
COc1sc(cc1C=C([N+](=O)[O-])C)SC
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.018g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.311g/mol
Monoisotopic Mass:
245.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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