AG00AB01

184174-81-0 | Methyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

AG00AB01

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CAS Number	184174-81-0
Catalog Number	AG00AB01(AGN-PC-0QD2WK)
Chemical Name	Methyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
IUPAC Name	methyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
InChI	InChI=1S/C11H15NO2S/c1-14-11(13)9-7-5-3-2-4-6-8(7)15-10(9)12/h2-6,12H2,1H3
InChI Key	BDPLKEMLVDUYRR-UHFFFAOYSA-N
MDL Number	MFCD01114967
Molecular Formula	C11H15NO2S
Molecular Weight	225.3073
SMILES	COC(C1C2=C(CCCCC2)SC=1N)=O
Synonyms	184174-81-0, methyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-amino-5,6,7,8-tetrahydro-4h-cyclohepta-[b]thiophene-3-carboxylate, MFCD01114967, 2-Amino-5,6,7,8-tetrahydro-4H-cyclohepta[b] thiophene-3-carboxylic acid methyl ester, methyl 2-amino-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate, 2-amino-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophene-3-carboxylic acid methyl ester, Methyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, 95%, AC1MBTUC, AC1Q42JG, Oprea1_647212, IFLab1_005738, SCHEMBL10714412, CTK6I8689, HMS1428E18, ALBB-001609, ZINC3865924, 6188AD, BBL010182, SBB019607, STK346785, AKOS000220128, CCG-139552, MCULE-1740467647, RTR-051841, IDI1_011141, AB0167442, TR-051841, R4180, EN300-09845, AB00093659-01, AK-968/11841049, I14-32130, Z56989615, F1174-2930, F1441-0056, 5,6,7,8-Tetrahydro-2-amino-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester, methyl 2-amino-4,5,6,7,8-pentahydrocyclohepta[1,2-b]thiophene-3-carboxylate, 2-AMINO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER, C11H15NO2S, BDPLKEMLVDUYRR-UHFFFAOYSA-N, ZINC03865924, CID2756554,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.082g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	225.306g/mol
Monoisotopic Mass	225.082g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	80.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code	\N

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