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Home > Nitro Compounds > 141187-73-7
141187-73-7 | 1,4-Benzenediol, 2-(dodecylthio)-5-[(6-nitro-2-benzothiazolyl)thio]-
CAS No: 141187-73-7 Catalog No: AG001G1H MDL No:
Product Description
Catalog Number:
AG001G1H
Chemical Name:
1,4-Benzenediol, 2-(dodecylthio)-5-[(6-nitro-2-benzothiazolyl)thio]-
CAS Number:
141187-73-7
Molecular Formula:
C25H32N2O4S3
Molecular Weight:
520.7276
IUPAC Name:
2-dodecylsulfanyl-5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]benzene-1,4-diol
InChI:
InChI=1S/C25H32N2O4S3/c1-2-3-4-5-6-7-8-9-10-11-14-32-23-16-21(29)24(17-20(23)28)34-25-26-19-13-12-18(27(30)31)15-22(19)33-25/h12-13,15-17,28-29H,2-11,14H2,1H3
InChI Key:
UFKJOBGIRGNJHY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSc1cc(O)c(cc1O)Sc1nc2c(s1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
520.152g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
520.721g/mol
Monoisotopic Mass:
520.152g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10
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