AG003JDQ

86704-82-7 | Benzenethiol, 3-ethoxy-

AG003JDQ

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CAS Number	86704-82-7
Catalog Number	AG003JDQ(AGN-PC-0KK7RE)
Chemical Name	Benzenethiol, 3-ethoxy-
IUPAC Name	3-ethoxybenzenethiol
InChI	InChI=1S/C8H10OS/c1-2-9-7-4-3-5-8(10)6-7/h3-6,10H,2H2,1H3
InChI Key	RTJMJGJLVSKSEB-UHFFFAOYSA-N
MDL Number	MFCD03094660
Molecular Formula	C8H10OS
Molecular Weight	154.2294
SMILES	O(CC)c1cc(S)ccc1
Synonyms	3-Ethoxythiophenol, 3-ethoxybenzenethiol, 3-Ethoxy thiophenol, 86704-82-7, 3'-Thiophenetole, 3-ethoxy thiophenole, PubChem6826, 3-ethoxy thiophenol 98%, 3-Ethoxythiophenol, 97%, ACMC-209qb3, AC1MC5E3, SCHEMBL443209, CTK3E7909, DTXSID10371298, RTJMJGJLVSKSEB-UHFFFAOYSA-N, ZINC5019272, ZX-AT010161, ANW-38365, MFCD03094660, OR4651, AKOS015897479, 3-ethoxybenzenethiol, 3'-thiophenetole, FCH1117598, RP21873, VZ26754, AN-35578, CC-14961, L529, DB-056949, RT-004924, TL8006754, E0701, FT-0615617, A841800, C-03355, I09-0763, J-512418, C8H10OS, CID2736350,

Complexity	95.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.045g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	154.227g/mol
Monoisotopic Mass	154.045g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	10.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
UN Code	\N

Certificate of Analysis

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