3-[(4-Methylphenyl)thio]propionic acid - CAS 13739-35-0

Name: 3-[(4-Methylphenyl)thio]propionic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB008556
Product Name:	3-[(4-Methylphenyl)thio]propionic acid
CAS:	13739-35-0
Synonyms:	3-(4-methylphenyl)sulfanylpropanoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-(4-methylphenyl)sulfanylpropanoic acid
Description:	3-[(4-Methylphenyl)thio]propionic acid (CAS# 13739-35-0) is a useful research chemical.
Molecular Weight:	196.27
Molecular Formula:	C10H12O2S
Canonical SMILES:	CC1=CC=C(C=C1)SCCC(=O)O
InChI:	InChI=1S/C10H12O2S/c1-8-2-4-9(5-3-8)13-7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChI Key:	ZRYGVBRPRKRFHJ-UHFFFAOYSA-N
Boiling Point:	348 °C at 760 mmHg
Density:	1.19 g/cm³
MDL:	MFCD00094954
LogP:	2.56180

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Carbonyl Compounds

[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1016519-61-1]C8H10N2O2
2-(Methyl-2-pyridylamino)acetic Acid
[17432-37-0]C11H14O
2,3,5,6-Tetramethylbenzaldehyde
[108397-75-7]C8H10N2O2
2,4,6-Trimethylpyrimidine-5-carboxylic Acid

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CA-3065961-A1	Inhibitors of rac1 and uses thereof for inducing bronchodilatation	20170606
CA-3066031-A1	Inhibitors of rac1 and uses thereof for treating cancers	20170606
EP-3412651-A1	Inhibitors of rac1 and uses thereof for inducing bronchodilatation	20170606
EP-3412652-A1	Inhibitors of rac1 and uses thereof for treating cancers	20170606
EP-3634948-A1	Inhibitors of rac1 and uses thereof for inducing bronchodilatation	20170606

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.05580079
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.05580079
Rotatable Bond Count:	4
Topological Polar Surface Area:	62.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3