AG00726U

4651-91-6 | 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

AG00726U

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CAS Number	4651-91-6
Catalog Number	AG00726U(AGN-PC-0JLRBQ)
Chemical Name	2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
EC Number	225-085-3
IUPAC Name	2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
InChI	InChI=1S/C9H10N2S/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-4,11H2
InChI Key	ADHVMGAFAKSNOM-UHFFFAOYSA-N
MDL Number	MFCD00128278
Molecular Formula	C9H10N2S
Molecular Weight	178.2541
NSC Number	86907
SMILES	N#CC1=C(N)SC2=C1CCCC2
Synonyms	4651-91-6, 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, 2-Amino-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carbonitrile, 2-amino-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophene, 2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carbonitrile, ADHVMGAFAKSNOM-UHFFFAOYSA-N, MFCD00128278, Benzo[b]thiophene-3-carbonitrile, 2-amino-4,5,6,7-tetrahydro-, 2-amino-3-cyano-4,5,6,7-tetrahydrobenzo(b)thiophene, NSC86907, EINECS 225-085-3, AC1Q4R9X, AC1Q50NQ, Cambridge id 5130181, SCHEMBL620749, AC1L2V40, ARONIS017577, CHEMBL1632047, CTK4I9425, KS-00000MMK, DTXSID30196864, HMS1674O19, ZINC126979, ALBB-001593, KS-000049YO, ZERO/000234, ANW-75168, BBL008129, CCG-40515, HTS000448, NSC-86907, SBB000201, STK017599, AKOS000103688, AB03582, aminotetrahydrobenzothiophenecarbonitrile, CS-W010759, MCULE-3255541087, RP10813, AJ-11980, AK-95695, AM803936, BAS 00338300, CJ-00953, SC-70583, ST040327, SY022502, ZB004413, AB0061029, DB-051383, TR-017416, BB 0217946, FT-0635378, Z2486, EN300-02283, MFCD00128278 (97%), K-9082, 2T-0811, A827059, AE-641/01150001, SR-01000395246, 2-Amino-4,5,6,7-Tetrahydrobenzo(B)Thiophene-3-, J-507812, SR-01000395246-1, 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carb, I01-15769, Z56862365, F0016-0385, 2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl cyanide, 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl cyanide, 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile #, 2-amino-4,5,6,7-tetrahydro-benzo[b] thiophene-3-carbonitrile, 2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophen e-3-carbonitrile, 2-amino-4,5,6,7-tetrahydrobenzo[b]-thiophene-3-carbonitrile, 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitryle, 2-azanyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, Benzo[b]thiophene-3-carbonitrile,2-amino-4,5,6,7-tetrahydro-, 2-amino-4,5,6,7-tetrahydro-1-benzo[b]thiophene-3-carbonitrile, C9H10N2S, C9-H10-N2-S, CID78382, AR-1D8302, 2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CAR, 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 97% - 1G 1g, 496-76-4,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.056g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.253g/mol
Monoisotopic Mass	178.056g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	78A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number