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NSC193505,AIDS127835,AIDS-127835,NSC 193505,S-(2-Imino-2-((2-thienylme

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摘 要:NSC193505,AIDS127835,AIDS-127835,NSC 193505,S-(2-Imino-2-((2-thienylmethyl)amino)ethyl) hydrogen thiosulfate,13338-52-8, 2-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]thiophene,Canonical SMILES: C1=CSC(=C1)CN=C(CSS(=O)(=O)O)N,InChI: InChI=1/C7H
[Synonyms]
NSC193505
AIDS127835
AIDS-127835
NSC 193505
S-(2-Imino-2-((2-thienylmethyl)amino)ethyl) hydrogen thiosulfate
13338-52-8

[Structure]
NSC193505,AIDS127835,AIDS-127835,NSC 193505,S-(2-Imino-2-((2-thienylme

[ Properties Computed from Structure]
Molecular Weight266.3609 [g/mol]
Molecular FormulaC7H10N2O3S3
XLogP-1.3
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count5
Tautomer Count2
Exact Mass265.985354
MonoIsotopic Mass265.985354
Topological Polar Surface Area92.8
Heavy Atom Count15
Formal Charge0
Complexity323
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]thiophene
Canonical SMILES: C1=CSC(=C1)CN=C(CSS(=O)(=O)O)N
InChI: InChI=1/C7H10N2O3S3/c8-7(5-14-15(10,11)12)9-4-6-2-1-3-13-6/h1-3H,4-5H2,
(H2,8,9)(H,10,11,12)/f/h10H,8H2/b9-7-

 
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