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65671-10-5

65671-10-5 | [[2-Nitro-5-(propylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester

CAS No: 65671-10-5 Catalog No: AG00FHIW MDL No:

Product Description

Catalog Number:
AG00FHIW
Chemical Name:
[[2-Nitro-5-(propylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester
CAS Number:
65671-10-5
IUPAC Name:
methyl N-[(2-nitro-5-propylsulfanylphenyl)carbamothioyl]carbamate
InChI:
InChI=1S/C12H15N3O4S2/c1-3-6-21-8-4-5-10(15(17)18)9(7-8)13-11(20)14-12(16)19-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,16,20)
InChI Key:
XOKQRYVGWCLDAO-UHFFFAOYSA-N

Properties

Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.05g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
329.389g/mol
Monoisotopic Mass:
329.05g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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