AG003H7Q

7341-17-5 | 2-Ethylhexanethiol

AG003H7Q

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CAS Number	7341-17-5
Catalog Number	AG003H7Q(AGN-PC-0JLHPT)
Chemical Name	2-Ethylhexanethiol
EC Number	230-854-1
FEMA Number	3833
IUPAC Name	2-ethylhexane-1-thiol
InChI	InChI=1S/C8H18S/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
InChI Key	UCJMHYXRQZYNNL-UHFFFAOYSA-N
MDL Number	MFCD00039654
Molecular Formula	C8H18S
Molecular Weight	146.2935
SMILES	C(CCCC)(CC)CS
Synonyms	2-Ethyl-1-hexanethiol, 2-Ethylhexanethiol, 7341-17-5, 2-Ethylhexane-1-thiol, 1-Hexanethiol, 2-ethyl-, 2-Ethylhexylmercaptan, 2-Ethylhexyl Mercaptan, EINECS 230-854-1, ACMC-20anw5, 2-(Mercaptomethyl)heptane, 2-Ethylhexanethiol, 97%, AC1Q7GO3, SCHEMBL186018, AC1L38Q5, CTK2H9460, FEMA 3833, KS-00000WHK, UCJMHYXRQZYNNL-UHFFFAOYSA-N, 8002AF, MFCD00039654, AKOS024257631, TRA0030022, DB-055760, RT-004931, E1031, FT-0636444, W-104452, Iso-octyl mercaptan, UNII-9M9TA4S7BL, C8H18S, 9M9TA4S7BL, C8-H18-S, AR-1E1554, CID110968, ACN-053707, 2-Ethyl-1-hexanethiol, 98% - 100G 100g, 76391-75-8,

Complexity	52.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.113g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	146.292g/mol
Monoisotopic Mass	146.113g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H319-H334-H412
Packing Group	Ⅲ
Precautionary statements	P261-P273-P305+P351+P338-P342+P311
UN Code	UN 3336

Certificate of Analysis

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