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CAS 873895-41-1
Also known as: 873895-41-1, 2-((2-aminophenyl)amino)-5-methylthiophene-3-carbonitrile, 3-thiophenecarbonitrile, 2-[(2-aminophenyl)amino]-5-methyl-, 2-[(2-aminophenyl)amino]-5-methyl-3-thiophenecarbonitrile(olanzapine impurity), 2-[(2-aminophenyl)amino]-5-methyl-3-thiophenecarbonitrile, 2-(1,2-phenylene-diamino)-5-methylthiophene-3-carbonitrile
Molecular Formula
C12H11N3S
Molecular Weight
229.30  g/mol
InChI Key
RSEACRIWQRAVPE-UHFFFAOYSA-N
FDA UNII
E7UFQ2UE2W

1 2D Structure

CAS 873895-41-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(2-aminoanilino)-5-methylthiophene-3-carbonitrile
2.1.2 InChI
InChI=1S/C12H11N3S/c1-8-6-9(7-13)12(16-8)15-11-5-3-2-4-10(11)14/h2-6,15H,14H2,1H3
2.1.3 InChI Key
RSEACRIWQRAVPE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC(=C(S1)NC2=CC=CC=C2N)C#N
2.2 Other Identifiers
2.2.1 UNII
E7UFQ2UE2W
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 873895-41-1

2. 2-((2-aminophenyl)amino)-5-methylthiophene-3-carbonitrile

3. 3-thiophenecarbonitrile, 2-[(2-aminophenyl)amino]-5-methyl-

4. 2-[(2-aminophenyl)amino]-5-methyl-3-thiophenecarbonitrile(olanzapine Impurity)

5. 2-[(2-aminophenyl)amino]-5-methyl-3-thiophenecarbonitrile

6. 2-(1,2-phenylene-diamino)-5-methylthiophene-3-carbonitrile

7. 2-[(2-aminophenyl)amino]-5-methylthiophene-3-carbonitrile

8. 3-thiophenecarbonitrile, 2-[(2-aminophenyl)amino]-5-methyl-; 2-(1,2-phenylene-diamino)-5-methylthiophene-3-carbonitrile; 2-[(2-aminophenyl)amino]-5-methyl-3-thiophenecarbonitrile; 2-(2-aminoanilino)-5-methylthiophene-3-carbonitrile

9. E7ufq2ue2w

10. Schembl2541882

11. Dtxsid50737278

12. Rseacriwqravpe-uhfffaoysa-n

13. Akos030254859

14. F19242

15. A901453

2.4 Create Date
2012-11-30
3 Chemical and Physical Properties
Molecular Weight 229.30 g/mol
Molecular Formula C12H11N3S
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area90.1
Heavy Atom Count16
Formal Charge0
Complexity285
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag India
Digital Content Digital Content
URL Supplier Web Content
1493-27-2
Olanzapine
Anupam Rasayan India Limited was started in 1976 and we are 36 years old. ISO 9001:2008 and ISO 14001:20...
Anupam Rasayan India Limited was started in 1976 and we are 36 years old. ISO 9001:2008 and ISO 14001:2004 certified chemical company with sound technology, environment consciousness, a rich history of innovation through research, and a total commitment to excellence in quality and customer satisfaction. ARIL is a manufacturer of Specialty Chemicals, with products catering to a plethora of market segments such as Pharmaceuticals, Agrochemicals, Pigments, Dyestuff, Material Sciences and Human Care. Our vision is to exploit to the maximum the potential of our extensive infrastructure and knowledge base, and then go beyond these to explore new horizons. Our objective is to grow exponentially in a multi-faceted manner through our chemistry, our technology and most importantly, through our customer support. ARIL thrives on its strong Research & Development and we have introduced numerous products for the first time in India. Many products have been introduced on an exclusive basis for our customers, for which we have entered into exclusivity agreements.
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