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Home > Nitro Compounds > 1242148-31-7
1242148-31-7 | N,N-dimethyl-1-[(4-nitronaphthalen-1-yl)sulfanyl]formamide
CAS No: 1242148-31-7 Catalog No: AG01A6JC MDL No:MFCD25371843
Product Description
Catalog Number:
AG01A6JC
Chemical Name:
N,N-dimethyl-1-[(4-nitronaphthalen-1-yl)sulfanyl]formamide
CAS Number:
1242148-31-7
Molecular Formula:
C13H12N2O3S
Molecular Weight:
276.3110
MDL Number:
MFCD25371843
IUPAC Name:
S-(4-nitronaphthalen-1-yl) N,N-dimethylcarbamothioate
InChI:
InChI=1S/C13H12N2O3S/c1-14(2)13(16)19-12-8-7-11(15(17)18)9-5-3-4-6-10(9)12/h3-8H,1-2H3
InChI Key:
VIIIGDIYUQQOBE-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)Sc1ccc(c2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.31g/mol
Monoisotopic Mass:
276.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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