Home Carbonyls 2-(3-Methoxycarbonylthioureido)aniline

2-(3-Methoxycarbonylthioureido)aniline

CAS No.:
27079-29-4
Catalog Number:
AG003S13
Molecular Formula:
C9H11N3O2S
Molecular Weight:
225.2675
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$88
- +
250mg
95%
In Stock USA
United States
$140
- +
1g
95%
In Stock USA
United States
$335
- +
Product Description
Catalog Number:
AG003S13
Chemical Name:
2-(3-Methoxycarbonylthioureido)aniline
CAS Number:
27079-29-4
Molecular Formula:
C9H11N3O2S
Molecular Weight:
225.2675
MDL Number:
MFCD01674471
IUPAC Name:
methyl N-[(2-aminophenyl)carbamothioyl]carbamate
InChI:
InChI=1S/C9H11N3O2S/c1-14-9(13)12-8(15)11-7-5-3-2-4-6(7)10/h2-5H,10H2,1H3,(H2,11,12,13,15)
InChI Key:
YTGVAKDRFRGYAM-UHFFFAOYSA-N
SMILES:
COC(=O)NC(=S)Nc1ccccc1N
UNII:
0871K2HV9N
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.057g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
225.266g/mol
Monoisotopic Mass:
225.057g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties