AG005D4X

77248-65-8 | 5-(Methylthio)-1H-indole

AG005D4X

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CAS Number	77248-65-8
Catalog Number	AG005D4X(AGN-PC-00KHPQ)
Chemical Name	5-(Methylthio)-1H-indole
IUPAC Name	5-methylsulfanyl-1H-indole
InChI	InChI=1S/C9H9NS/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3
InChI Key	SDCBCVSFFGUNSH-UHFFFAOYSA-N
MDL Number	MFCD06796637
Molecular Formula	C9H9NS
Molecular Weight	163.2395
SMILES	CSC1=CC2=C(NC=C2)C=C1
Synonyms	5-Methylthio-indole, 77248-65-8, 5-(methylthio)-1H-indole, 5-(METHYLSULFANYL)-1H-INDOLE, 5-methylthio-1H-indole, 5-(methylthio)indole, 5-methylsulfanyl-1h-indole, 5-(methylsulphanyl)-indole, 1H-Indole,5-(methylthio)-, SCHEMBL2942909, CTK5E4087, KS-00003KOG, DTXSID20515363, SDCBCVSFFGUNSH-UHFFFAOYSA-N, ACT10265, CM-683, FCH921263, MFCD06796637, ZINC12650874, AKOS006346240, FS-2245, BC677373, OR313068, AB0007442, AX8034911, FT-0630297, A-2319, A12888, I10-0576,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.046g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	163.238g/mol
Monoisotopic Mass	163.046g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	41.1A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number