AG002JOS

2084-18-6 | 2-Butanethiol, 3-methyl-

AG002JOS

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CAS Number	2084-18-6
Catalog Number	AG002JOS(AGN-PC-0D5ZB2)
Chemical Name	2-Butanethiol, 3-methyl-
EC Number	218-223-9
FEMA Number	3304
IUPAC Name	3-methylbutane-2-thiol
InChI	InChI=1S/C5H12S/c1-4(2)5(3)6/h4-6H,1-3H3
InChI Key	BFLXFRNPNMTTAA-UHFFFAOYSA-N
MDL Number	MFCD00039648
Molecular Formula	C5H12S
Molecular Weight	104.2138
SMILES	CC(S)C(C)C
UN Number	1993
Synonyms	3-Methyl-2-butanethiol, 2084-18-6, 3-Methylbutane-2-thiol, 2-Butanethiol, 3-methyl-, 3-Methyl-2-butylthiol, FEMA No. 3304, BFLXFRNPNMTTAA-UHFFFAOYSA-N, EINECS 218-223-9, MFCD00039648, AC1LAT5K, 3-methyl-2-butane thiol, ACMC-209ff6, 3-Methyl-2-butyl Mercaptan, SCHEMBL24505, KSC202S8N, 1,2-Dimethylpropyl hydrosulfide, CTK1A2986, FEMA 3304, KS-00000WYS, 1,2-Dimethylpropyl hydrosulfide #, 3-Methyl-2-butanethiol, >=98%, ANW-24256, AKOS009157818, LS-2906, NE10948, RTC-020282, TRA0161903, AN-19829, R573, AB1006070, DB-003408, TC-020282, FT-0634024, M2141, I09-1865, I14-2568, null, UNII-JE3PR84J0B, n-trimethylsilyldimethylamine, JE3PR84J0B, C5H12S, N,N-Dimethylaminotrimethylsilane, CID519823, ZINC04802645, 3-Methyl-2-butanethiol, 95% - 25G 25g, 51036-79-4,

Complexity	32.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	104.066g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	104.211g/mol
Monoisotopic Mass	104.066g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H225
Packing Group	Ⅱ
Precautionary statements	P210
UN Code	UN 3336

Certificate of Analysis

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