AG003BNN

35250-53-4 | (2-Mercaptoethyl)pyrazine

AG003BNN

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CAS Number	35250-53-4
Catalog Number	AG003BNN(AGN-PC-0JL4RE)
Chemical Name	(2-Mercaptoethyl)pyrazine
EC Number	609-107-2
FEMA Number	3230
IUPAC Name	2-pyrazin-2-ylethanethiol
InChI	InChI=1S/C6H8N2S/c9-4-1-6-5-7-2-3-8-6/h2-3,5,9H,1,4H2
InChI Key	QKVWBAMZPUHCMO-UHFFFAOYSA-N
MDL Number	MFCD00053160
Molecular Formula	C6H8N2S
Molecular Weight	140.2061
SMILES	C(CS)c1cnccn1
UNII	F7I6G0E56F
Synonyms	Pyrazineethanethiol, 35250-53-4, 2-Pyrazinylethanethiol, pyrazine ethanethiol, 2-Pyrazineethanethiol, 2-pyrazin-2-ylethanethiol, Pyrazinyl ethanethiol, 2-(2-Mercaptoethyl)pyrazine, 2-(pyrazin-2-yl)ethanethiol, 2-Pyrazinylethylmercaptan, (2-Mercaptoethyl)pyrazine, FEMA 3230, Mercaptoethylpyrazine, UNII-F7I6G0E56F, FEMA No. 3230, Ethanethiol, 2-pyrazinyl-, BRN 0774932, F7I6G0E56F, 2-(pyrazin-2-yl)ethane-1-thiol, MFCD00053160, 2-pyrazin-2-ylethane-1-thiol, pyrazinyl ethane thiol, 2-pyrazineethane thiol, 2-Pyrazinyl-Ethanethiol, ACMC-1CSWT, 2-Mercaptoethyl pyrazine, DSSTox_CID_5977, beta-Mercaptoethyl pyrazine, 2-Pyrazinyl-ethyl mercaptan, AC1L1W7A, DSSTox_RID_77979, DSSTox_GSID_25977, 5-23-11-00173 (Beilstein Handbook Reference), KSC222G3R, 2-PYRAZINE ETHANETHIOL, SCHEMBL978915, 2-(Pyrazin-2-yl);ethanethiol, Jsp006353, CHEMBL3186300, DTXSID2025977, CTK1C2338, FEMA-3230, QKVWBAMZPUHCMO-UHFFFAOYSA-N, Pyrazineethanethiol, >=97%, FG, ZINC4802601, Tox21_302691, ANW-28126, SBB067078, AKOS015856580, LS-1227, RTR-014567, TRA0054474, VP40107, KS-0000108E, NCGC00256675-01, CJ-12296, R558, SC-21708, AB1006042, CAS-35250-53-4, TR-014567, FT-0655191, M1845, ST50823702, 32878-EP2301933A1, 32878-EP2311827A1, I14-1038, C6-H8-N2-S, CID61945, 2-(2-Mercaptoethyl)pyrazine, 98% - 1G 1g,

Complexity	77.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.041g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	140.204g/mol
Monoisotopic Mass	140.041g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P310-P305+P351+P338
UN Code	UN 2810

Certificate of Analysis

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