3-[(4-Chlorophenyl)thio]propanoic Acid - CAS 6310-27-6

Catalog:	BB031999
Product Name:	3-[(4-Chlorophenyl)thio]propanoic Acid
CAS:	6310-27-6
Synonyms:	3-[(4-chlorophenyl)thio]propanoic acid; 3-(4-chlorophenyl)sulfanylpropanoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-(4-chlorophenyl)sulfanylpropanoic acid
Description:	3-[(4-Chlorophenyl)thio]propanoic Acid (CAS# 6310-27-6) is a useful research chemical.
Molecular Weight:	216.68
Molecular Formula:	C9H9ClO2S
Canonical SMILES:	C1=CC(=CC=C1SCCC(=O)O)Cl
InChI:	InChI=1S/C9H9ClO2S/c10-7-1-3-8(4-2-7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12)
InChI Key:	JGJULSJGGIMHBK-UHFFFAOYSA-N
Boiling Point:	371.7 °C at 760 mmHg
Density:	1.36 g/cm³
LogP:	2.90680

Publication Number	Title	Priority Date
CN-110229333-A	A kind of synthetic method of new type polyimide	20190625
CN-104710438-A	Spirocyclic compound for promoting generation of iPS cells, and preparation method and use thereof	20131211
CN-104710438-B	The volution compound and its preparation method and application for promoting iPS cell to generate	20131211

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[17432-37-0]
2,3,5,6-Tetramethylbenzaldehyde
[1018168-48-3]
2-[(5-Methyl-1,2-oxazol-3-yl)methoxy]acetic acid
[151585-93-2]
2-Amino-6-fluorobenzaldehyde

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.0011784
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	216.0011784
Rotatable Bond Count:	4
Topological Polar Surface Area:	62.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6