AG002VQP

28588-74-1 | 3-Furanthiol, 2-methyl-

AG002VQP

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CAS Number	28588-74-1
Catalog Number	AG002VQP(AGN-PC-0JKNO8)
Chemical Name	3-Furanthiol, 2-methyl-
EC Number	249-094-7
FEMA Number	3188
IUPAC Name	2-methylfuran-3-thiol
InChI	InChI=1S/C5H6OS/c1-4-5(7)2-3-6-4/h2-3,7H,1H3
InChI Key	RUYNUXHHUVUINQ-UHFFFAOYSA-N
MDL Number	MFCD00010280
Molecular Formula	C5H6OS
Molecular Weight	114.1655
SMILES	o1ccc(c1C)S
UNII	N21RW1N179
Synonyms	2-methyl-3-furanthiol, 2-Methyl-3-furanthiol, 28588-74-1, 2-Methylfuran-3-thiol, 3-FURANTHIOL, 2-METHYL-, 2-methyl-3-furanethiol, 2-Methyl-3-mercaptofuran, 2-Methyl-3-furylthiol, 3-Mercapto-2-methylfuran, 2-methyl-furan-3-thiol, 2-Methyl-3-furylmercaptan, 2-methyl-3-sulfanylfuran, UNII-N21RW1N179, FEMA No. 3188, 2-methyl-3-thiol-furane, EINECS 249-094-7, 2-Methyl, 3-furanethiol, Furan-3-thiol, 2-methyl, RUYNUXHHUVUINQ-UHFFFAOYSA-N, N21RW1N179, 2-Methyl-3-furanethiol, ca.90%, balance oxidized compound, fish thiol, MFCD00010280, Oxycyclothione 030, PubChem7060, 2-methyl-3-furan thiol, 2-methylfuran-3-thiol;, 2-Methyl-3-furanthiol;, 2-methyl-furan-3-thiol;, ACMC-209h3f, 2-methyl-3-mercapto-furan, 2-methyl-3-mercaptofuran;, 3-mercapto-2-methylfuran;, 2-Methyl-3-mercapto furan, AC1L1RB0, DSSTox_CID_27118, DSSTox_RID_82127, DSSTox_GSID_47118, SCHEMBL691744, CHEMBL3188696, DTXSID5047118, CTK1A1847, FEMA 3188, EBD16869, KS-00000WC7, Tox21_302709, 2-Methyl-3-furanthiol, 95%, FG, 5086AH, ANW-26425, SBB066361, AKOS015897434, ZINC100013729, LS-2923, NE10680, TRA0062495, TRA0070599, VZ24915, 2-Methyl-3-furanthiol, technical grade, NCGC00256792-01, AS-47693, AB1005968, CAS-28588-74-1, DB-021329, RT-002078, FT-0612940, M1847, 588M741, I09-0074, Q-100360, null, C5H6OS, 3-furantiol, 2-metil-, 2-Methyl-3-tetrahydrofuranthiol, 2-Methyltetrahydrofuran-3-thiol, 2 - methylfuran - 3 - thiol, C5-H6-O-S, CID34286, ZINC00396117, 3-Furanthiol, 2-methyl- (8CI, 9CI), 57124-87-5,

Complexity	65.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	114.014g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	114.162g/mol
Monoisotopic Mass	114.014g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	14.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3(6.1)
Hazard statements	H226-H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 1228

Certificate of Analysis

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