Home Other Building Blocks Hydrazinecarbothioamide, N-[(4-methoxyphenyl)methyl]-

Hydrazinecarbothioamide, N-[(4-methoxyphenyl)methyl]-

CAS No.:
16735-76-5
Catalog Number:
AG001XB7
Molecular Formula:
C9H13N3OS
Molecular Weight:
211.2840
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$69
- +
5g
98%
1 week
United States
$166
- +
25g
98%
1 week
United States
$549
- +
Product Description
Catalog Number:
AG001XB7
Chemical Name:
Hydrazinecarbothioamide, N-[(4-methoxyphenyl)methyl]-
CAS Number:
16735-76-5
Molecular Formula:
C9H13N3OS
Molecular Weight:
211.2840
MDL Number:
MFCD00060591
IUPAC Name:
1-amino-3-[(4-methoxyphenyl)methyl]thiourea
InChI:
InChI=1S/C9H13N3OS/c1-13-8-4-2-7(3-5-8)6-11-9(14)12-10/h2-5H,6,10H2,1H3,(H2,11,12,14)
InChI Key:
RJYHJXVBSQAYNL-UHFFFAOYSA-N
SMILES:
NNC(=S)NCc1ccc(cc1)OC
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.078g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
211.283g/mol
Monoisotopic Mass:
211.078g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties