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Home Nitriles 2-Amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

2-Amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

CAS No.:
60598-69-8
Catalog Number:
AG00E9SL
Molecular Formula:
C10H12N2S
Molecular Weight:
192.2807
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$100
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250mg
95%
In Stock USA
United States
$200
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1g
95%
In Stock USA
United States
$475
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Product Description
Catalog Number:
AG00E9SL
Chemical Name:
2-Amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CAS Number:
60598-69-8
Molecular Formula:
C10H12N2S
Molecular Weight:
192.2807
MDL Number:
MFCD08752918
IUPAC Name:
2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
InChI:
InChI=1S/C10H12N2S/c1-6-3-2-4-8-9(6)7(5-11)10(12)13-8/h6H,2-4,12H2,1H3
InChI Key:
WATZWLWPXSJZOA-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)sc2c1C(C)CCC2
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.072g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.28g/mol
Monoisotopic Mass:
192.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
2-Amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile. Acta crystallographica. Section E, Structure reports online 20121001
Properties