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Home > Nitro Compounds > 72505-67-0
72505-67-0 | N-NITROSOISOBUTYLTHIAZOLIDINE
CAS No: 72505-67-0 Catalog No: AG005GX9 MDL No:
Product Description
Catalog Number:
AG005GX9
Chemical Name:
N-NITROSOISOBUTYLTHIAZOLIDINE
CAS Number:
72505-67-0
Molecular Formula:
C7H14N2OS
Molecular Weight:
174.2639
IUPAC Name:
2-(2-methylpropyl)-3-nitroso-1,3-thiazolidine
InChI:
InChI=1S/C7H14N2OS/c1-6(2)5-7-9(8-10)3-4-11-7/h6-7H,3-5H2,1-2H3
InChI Key:
FMJPTPCDAGQKQC-UHFFFAOYSA-N
SMILES:
O=NN1CCSC1CC(C)C
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.083g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.262g/mol
Monoisotopic Mass:
174.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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