AG00737U

42225-04-7 | 2-Amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

AG00737U

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CAS Number	42225-04-7
Catalog Number	AG00737U(AGN-PC-0JTFHL)
Chemical Name	2-Amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
IUPAC Name	2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
InChI	InChI=1S/C10H12N2S/c1-6-2-3-7-8(5-11)10(12)13-9(7)4-6/h6H,2-4,12H2,1H3
InChI Key	VDMBPDMXBJUYMB-UHFFFAOYSA-N
MDL Number	MFCD00128282
Molecular Formula	C10H12N2S
Molecular Weight	192.2807
SMILES	N#CC1=C(N)SC2=C1CCC(C)C2
Synonyms	42225-04-7, 2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, 2-Amino-6-methyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carbonitrile, VDMBPDMXBJUYMB-UHFFFAOYSA-N, ZERO/000219, AC1LBZM5, AC1Q2QTZ, Cambridge id 5341853, ARONIS022649, SCHEMBL1719562, CHEMBL1632446, CTK4I5877, KS-00004DUI, DTXSID80343720, ALBB-001559, ANW-60509, BBL008114, MFCD00128282, RSC000565, SBB000307, STK017968, AKOS000111286, AKOS016036814, AB03584, MCULE-5358393564, RP25196, NCGC00331513-01, ST040796, AB0115344, DB-004566, TR-051809, BB 0245685, FT-0611211, Z2489, EN300-01282, W-6515, AB01225081-03, AK-777/09840029, SR-01000508085, J-508001, SR-01000508085-1, Z56881237, F0863-0275, 2-Amino-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene, 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl cyanide, 2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile #, 2-Amino-6-methyl-4,5,6,7-tetrahydro-benzo[b ]thiophene-3-carbonitrile, 4,5,6,7-Tetrahydrobenzo[b]thiophene-3-carbonitrile, 2-amino-6-methyl-, Benzo[b]thiophene-3-carbonitrile,2-amino-4,5,6,7-tetrahydro-6-methyl-, 2-AMINO-4,5,6,7-TETRAHYDRO-6-METHYLBENZO[B]THIOPHENE-3-CARBONITRILE, C10H12N2S, CID591744, 2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 97% - 1G 1g,

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	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P264-P280-P261-P271-P302+P352-P321-P332+P313-P362+P364-P305+P351+P338-P337+P313-P304+P340-P312-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number