Home Other Building Blocks 3-Cyanothiophene

3-Cyanothiophene

CAS No.:
1641-09-4
Catalog Number:
AG001UNW
Molecular Formula:
C5H3NS
Molecular Weight:
109.1490
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$19
- +
25g
95%
In Stock USA
United States
$69
- +
100g
95%
In Stock USA
United States
$219
- +
Product Description
Catalog Number:
AG001UNW
Chemical Name:
3-Cyanothiophene
CAS Number:
1641-09-4
Molecular Formula:
C5H3NS
Molecular Weight:
109.1490
MDL Number:
MFCD00151852
IUPAC Name:
thiophene-3-carbonitrile
InChI:
InChI=1S/C5H3NS/c6-3-5-1-2-7-4-5/h1-2,4H
InChI Key:
GSXCEVHRIVLFJV-UHFFFAOYSA-N
SMILES:
N#Cc1cscc1
EC Number:
216-687-7
Properties
Complexity:
102  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.999g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
109.146g/mol
Monoisotopic Mass:
108.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
2-[(1,3-Benzodioxol-5-yl-methyl-idene)amino]-4,5,6,7-tetra-hydro-1-benzothio-phene-3-carbonitrile. Acta crystallographica. Section E, Structure reports online 20110801
Properties