| CAS Number | 34761-14-3 |
| Catalog Number | AG00CKH7(AGN-PC-0JWKIG) |
| Chemical Name | 3-Aminobenzo[B]Thiophene-2-Carbonitrile |
| IUPAC Name | 3-amino-1-benzothiophene-2-carbonitrile |
| InChI | InChI=1S/C9H6N2S/c10-5-8-9(11)6-3-1-2-4-7(6)12-8/h1-4H,11H2 |
| InChI Key | UJPNEVVIUIZNTR-UHFFFAOYSA-N |
| MDL Number | MFCD01830421 |
| Molecular Formula | C9H6N2S |
| Molecular Weight | 174.2223 |
| SMILES | NC1C2=C(C=CC=C2)SC=1C#N |
| Synonyms | 3-aminobenzo[b]thiophene-2-carbonitrile,
34761-14-3,
3-amino-1-benzothiophene-2-carbonitrile,
3-aminobenzothiophen-2-carbonitrile,
3-amino-1-benzothiophen-2-carbonitril,
AC1LGII1,
AC1Q4RTF,
SCHEMBL11331315,
CTK7C9328,
ZINC339113,
SBB088935,
AKOS006345522,
MCULE-3290784335,
NE32134,
EN300-86316,
Z1262398520,
AR-1F1687,
CID821951,
ZINC00339113,
34993-74-3,
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.221g/mol |
| Monoisotopic Mass | 174.025g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 78A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number