Methyl 4-methylbenzenesulfinate

CAT: 0127-OR1101008-01Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1101008-01Size:250 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

672-78-6

Purity

95%

Smiles

CC1=CC=C (C=C1) S (=O) OC

Chemical Information

Benzenesulfinic acid, 4-methyl-, methyl ester

CAS Number	672-78-6
PubChem CID	10285823
IUPAC Name	methyl 4-methylbenzenesulfinate
Molecular Formula	C8H10O2S
Molecular Weight	170.23
XLogP	1.8
Topological Polar Surface Area	45.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	139

SMILES

CC1=CC=C(C=C1)S(=O)OC

InChI

InChI=1S/C8H10O2S/c1-7-3-5-8(6-4-7)11(9)10-2/h3-6H,1-2H3

InChIKey

MGPLBSPZSIFUQX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 672-78-6

CID: 10285823

Formula: C8H10O2S

MW: 170.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.23
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	170.04015073
Monoisotopic Mass	170.04015073
Topological Polar Surface Area	45.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	139
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1082291-01	Benzyl 4-methylbenzenesulfinate
IN11859	Zinc (II) 4-Methylbenzenesulfinate
OR1074968-01	(4-Oxocyclohexyl) methyl 4-methylbenzenesulfonate
PC1008056-01	(4,4-Difluorocyclohexyl) methyl 4-methylbenzenesulfonate
OR1057100-01	(1-Cyanocyclopropyl) methyl 4-methylbenzenesulfonate
OR1008568-01	(S) - ((1R,2S,5R) -2-Isopropyl-5-Methylcyclohexyl) 4-Methylbenzenesulfinate
OR1024875-01	(Tetrahydrofuran-3-Yl) Methyl 4-Methylbenzenesulfonate
OR1054640	4-Iodo-2- ((tosyloxy) methyl) phenyl 4-methylbenzenesulfonate
OR91675	(S) - (2-Oxooxazolidin-4-yl) methyl 4-methylbenzenesulfonate
OR940897-01	Methyl 4-methyl-4-nitropentanoate

Catalog	Name
sc-228548	Methyl 4-methyl-4-nitropentanoate
GRA47062-01	Methyl 4-[ (4-bromophenoxy) methyl]benzoate
XPD10566-01	4-Methyl-4-[ (methylsulfanyl) methyl]piperidine
sc-269503	Methyl 4-[ (4-formylphenoxy) methyl]benzoate
ZMA54487-01	Methyl 4-[ (4-nitrophenoxy) methyl]benzoate
MBS6046722-01	4-[(4-Methoxyphenyl)methyl]-4-methyl-2-phenyl-
016395	4-[ (4-Methoxyphenyl) methyl]-4-methyl-2-phenyl-
DXC58253-01	Methyl 4-[ (4-fluorophenyl) methyl]oxane-4-carboxylate
VLB48281-01	Methyl ({4-[ (morpholin-4-yl) methyl]phenyl}methyl) amine
sc-315190	4-[ (3-Methyl-4-nitrophenoxy) methyl]piperidine