AG00DELS

55968-16-6 | 2-Thiophen-2-yl-indole

AG00DELS

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CAS Number	55968-16-6
Catalog Number	AG00DELS(AGN-PC-0KL7OT)
Chemical Name	2-Thiophen-2-yl-indole
IUPAC Name	2-thiophen-2-yl-1H-indole
InChI	InChI=1S/C12H9NS/c1-2-5-10-9(4-1)8-11(13-10)12-6-3-7-14-12/h1-8,13H
InChI Key	YKSQPGLJCBOZNG-UHFFFAOYSA-N
MDL Number	MFCD00661775
Molecular Formula	C12H9NS
Molecular Weight	199.2716
SMILES	C(N1)(C2=CC=CS2)=CC3=C1C=CC=C3
Synonyms	2-(thiophen-2-yl)-1H-indole, 55968-16-6, 2-Thiophen-2-yl-indole, 2-(2-thienyl)-1H-indole, 2-thiophen-2-yl-1H-indole, Thienylindol, 1H-Indole, 2-(2-thienyl)-, AC1MDTVA, 2-(2-Thienyl)indole, 2-indol-2-ylthiophene, 2-Thiophen-2-ylindole, Maybridge1_000179, 2-thien-2-yl-1H-indole, 1H-Indole,2-(2-thienyl)-, SCHEMBL2546875, SCHEMBL11815892, CTK5A4425, HMS542A03, ZINC66217, DTXSID80383803, EBD75653, KS-00001U4I, 8176AB, CCG-53980, CT-525, FCH841789, MFCD00661775, STK129058, AKOS002112893, MCULE-5390120428, AJ-10198, AK112520, BC223182, ZB002545, AX8078756, ST2404077, 4CH-019213, FT-0691212, ST51008706, 1W-0332, SR-01000643102-1, C12H9NS, ZINC00066217, CID2795653,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.046g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	199.271g/mol
Monoisotopic Mass	199.046g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

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

Certificate of Analysis

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