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Home Other Building Blocks 4,4'-Dimethylthiocarbanilide

4,4'-Dimethylthiocarbanilide

CAS No.:
621-01-2
Catalog Number:
AG00E9JE
Molecular Formula:
C15H16N2S
Molecular Weight:
256.3659
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$144
- +
25g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG00E9JE
Chemical Name:
4,4'-Dimethylthiocarbanilide
CAS Number:
621-01-2
Molecular Formula:
C15H16N2S
Molecular Weight:
256.3659
MDL Number:
MFCD00008541
IUPAC Name:
1,3-bis(4-methylphenyl)thiourea
InChI:
InChI=1S/C15H16N2S/c1-11-3-7-13(8-4-11)16-15(18)17-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,16,17,18)
InChI Key:
ULNVBRUIKLYGDF-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc(cc1)C)Nc1ccc(cc1)C
EC Number:
210-665-0
UNII:
GPP4Q8300Z
NSC Number:
687
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.103g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
256.367g/mol
Monoisotopic Mass:
256.103g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
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