Bis(4-nitrophenyl)sulfide

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Catalog Number
ACM1223310
Product Name
Bis(4-nitrophenyl)sulfide
Structure
Structure
CAS
1223-31-0
Category
Heterocyclic Organic Compound
IUPAC Name
1-nitro-4-(4-nitrophenyl)sulfanylbenzene
Molecular Weight
276.27g/mol
Molecular Formula
C12H8N2O4S
Canonical SMILES
C1=CC(=CC=C1[N+](=O)[O-])SC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H8N2O4S/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H
InChI Key
ZZTJMQPRKBNGNX-UHFFFAOYSA-N
Melting Point
160.5 °C
Complexity
294
Covalently-Bonded Unit Count
1
EC Number
214-950-0
Exact Mass
276.020478g/mol
Formal Charge
0
H-Bond Acceptor
5
H-Bond Donor
0
Heavy Atom Count
19
Monoisotopic Mass
276.020478g/mol
NSC Number
629272;11350
Rotatable Bond Count
2
XLogP3
3.5
MSDS
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COA
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Spec Sheet
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