sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitriles 2-Amino-4,5,6,7-tetrahydro-7-oxobenzo[b]thiophene-3-carbonitrile

2-Amino-4,5,6,7-tetrahydro-7-oxobenzo[b]thiophene-3-carbonitrile

CAS No.:
98899-30-0
Catalog Number:
AG00IK6K
Molecular Formula:
C9H8N2OS
Molecular Weight:
192.2376
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$100
- +
5g
96%
In Stock USA
United States
$375
- +
Product Description
Catalog Number:
AG00IK6K
Chemical Name:
2-Amino-4,5,6,7-tetrahydro-7-oxobenzo[b]thiophene-3-carbonitrile
CAS Number:
98899-30-0
Molecular Formula:
C9H8N2OS
Molecular Weight:
192.2376
MDL Number:
MFCD01858636
IUPAC Name:
2-amino-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carbonitrile
InChI:
InChI=1S/C9H8N2OS/c10-4-6-5-2-1-3-7(12)8(5)13-9(6)11/h1-3,11H2
InChI Key:
XMZNDMVUUNFZEB-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)sc2c1CCCC2=O
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.036g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.236g/mol
Monoisotopic Mass:
192.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties