Home Other Building Blocks 4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide

4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide

CAS No.:
53068-24-9
Catalog Number:
AG00DER5
Molecular Formula:
C11H17N3O2S
Molecular Weight:
255.3366
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$44
- +
5g
95%
In Stock USA
United States
$194
- +
Product Description
Catalog Number:
AG00DER5
Chemical Name:
4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide
CAS Number:
53068-24-9
Molecular Formula:
C11H17N3O2S
Molecular Weight:
255.3366
MDL Number:
MFCD00041305
IUPAC Name:
1-amino-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
InChI:
InChI=1S/C11H17N3O2S/c1-15-9-4-3-8(7-10(9)16-2)5-6-13-11(17)14-12/h3-4,7H,5-6,12H2,1-2H3,(H2,13,14,17)
InChI Key:
QQXGPRQIXQPVTQ-UHFFFAOYSA-N
SMILES:
NNC(=S)NCCc1ccc(c(c1)OC)OC
NSC Number:
176360
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.104g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
255.336g/mol
Monoisotopic Mass:
255.104g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties