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Home > Nitro Compounds > 685120-05-2
685120-05-2 | 2-[(6-NITRO-1,1-DIOXO-2,3-DIHYDRO-1H-1-BENZOTHIOPHEN-3-YL)SULFANYL]ACETOHYDRAZIDE
CAS No: 685120-05-2 Catalog No: AG005PS8 MDL No:MFCD04110822
Product Description
Catalog Number:
AG005PS8
Chemical Name:
2-[(6-NITRO-1,1-DIOXO-2,3-DIHYDRO-1H-1-BENZOTHIOPHEN-3-YL)SULFANYL]ACETOHYDRAZIDE
CAS Number:
685120-05-2
Molecular Formula:
C10H11N3O5S2
Molecular Weight:
317.3414
MDL Number:
MFCD04110822
IUPAC Name:
2-[(6-nitro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanyl]acetohydrazide
InChI:
InChI=1S/C10H11N3O5S2/c11-12-10(14)4-19-8-5-20(17,18)9-3-6(13(15)16)1-2-7(8)9/h1-3,8H,4-5,11H2,(H,12,14)
InChI Key:
OAAWZHMRILBKGI-UHFFFAOYSA-N
SMILES:
NNC(=O)CSC1CS(=O)(=O)c2c1ccc(c2)[N+](=O)[O-]
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.014g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.334g/mol
Monoisotopic Mass:
317.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
169A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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