2- (4-Methoxyphenoxy) ethane-1-thiol

CAT: 0926-ZAB73949-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-ZAB73949-01Size:100 mg

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CAS Number

649739-49-1

MDL Number

MFCD09804576

Smiles

COC1=CC=C (C=C1) OCCS

Molecular Formula

C9H12O2S

Molecular Weight

184.26 g/mol

Controlled

Chemical Information

2-(4-Methoxyphenoxy)ethane-1-thiol

CAS Number	649739-49-1
PubChem CID	24689109
IUPAC Name	2-(4-methoxyphenoxy)ethanethiol
Molecular Formula	C9H12O2S
Molecular Weight	184.26
XLogP	2.2
Topological Polar Surface Area	19.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	111

SMILES

COC1=CC=C(C=C1)OCCS

InChI

InChI=1S/C9H12O2S/c1-10-8-2-4-9(5-3-8)11-6-7-12/h2-5,12H,6-7H2,1H3

InChIKey

YTUFNFKPXWZGBT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 649739-49-1

CID: 24689109

Formula: C9H12O2S

MW: 184.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.26
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	184.05580079
Monoisotopic Mass	184.05580079
Topological Polar Surface Area	19.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	111
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
YDA48788-01	2- (4-Nitrophenoxy) ethane-1-thiol
QDA22074-01	2- (4-Methoxyphenoxy) ethane-1-sulfonyl chloride
EAA54246-01	2- (Morpholin-4-yl) ethane-1-thiol
VAA29560-01	2-[ (4-Fluorophenyl) amino]ethane-1-thiol
SAA10966-01	2- (Phenylsulfanyl) ethane-1-thiol
NEA68251-01	1- (4-Methoxyphenyl) ethane-1-thiol
NEA68250-01	1- (4-Chlorophenyl) ethane-1-thiol
RQB71681-01	1- (2-Chlorophenyl) ethane-1-thiol
CHA74862-01	2- (2-Iodophenyl) ethane-1-thiol
AJB46554-01	1- (2-Methoxyphenyl) ethane-1-thiol

Catalog	Name
OR1054031	1,2-Bis (2-methoxyphenoxy) ethane
sc-350444	5-[ (4-methoxyphenoxy) methyl]-1,3,4-oxadiazole-2-thiol
sc-290756	5-[1- (4-methoxyphenoxy) ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol
sc-289721	4-allyl-5-[1- (4-methoxyphenoxy) ethyl]-4H-1,2,4-triazole-3-thiol
sc-290296	4-ethyl-5-[1- (4-methoxyphenoxy) ethyl]-4H-1,2,4-triazole-3-thiol
sc-290289	4-ethyl-5-[ (4-methoxyphenoxy) methyl]-4H-1,2,4-triazole-3-thiol
sc-278000	5-[ (4-methoxyphenoxy) methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
sc-289710	4-allyl-5-[ (4-methoxyphenoxy) methyl]-4H-1,2,4-triazole-3-thiol
sc-349111A	4-amino-5-[ (4-methoxyphenoxy) methyl]-4H-1,2,4-triazole-3-thiol
sc-290734	5-[ (4-methoxyphenoxy) methyl]-4-methyl-4H-1,2,4-triazole-3-thiol