Home Other Building Blocks 1H-Indole-3-carbothioic acid amide

1H-Indole-3-carbothioic acid amide

CAS No.:
59108-90-6
Catalog Number:
AG00E9Z4
Molecular Formula:
C9H8N2S
Molecular Weight:
176.2382
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$124
- +
1g
97%
1 week
United States
$212
- +
5g
97%
1 week
United States
$719
- +
Product Description
Catalog Number:
AG00E9Z4
Chemical Name:
1H-Indole-3-carbothioic acid amide
CAS Number:
59108-90-6
Molecular Formula:
C9H8N2S
Molecular Weight:
176.2382
MDL Number:
MFCD01993552
IUPAC Name:
1H-indole-3-carbothioamide
InChI:
InChI=1S/C9H8N2S/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H2,10,12)
InChI Key:
PPWNZMJWESSLGE-UHFFFAOYSA-N
SMILES:
NC(=S)c1c[nH]c2c1cccc2
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.041g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
176.237g/mol
Monoisotopic Mass:
176.041g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties