Mercaptosuccinic acid - CAS 70-49-5

Catalog:	BB034162
Product Name:	Mercaptosuccinic acid
CAS:	70-49-5

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Computed Properties

IUPAC Name:	2-sulfanylbutanedioic acid
Description:	Mercaptosuccinic acid is a useful research chemical compound.
Molecular Weight:	150.15
Molecular Formula:	C4H6O4S
Canonical SMILES:	C(C(C(=O)O)S)C(=O)O
InChI:	InChI=1S/C4H6O4S/c5-3(6)1-2(9)4(7)8/h2,9H,1H2,(H,5,6)(H,7,8)
InChI Key:	NJRXVEJTAYWCQJ-UHFFFAOYSA-N
Boiling Point:	256.3 °C at 760 mmHg
Purity:	98% by HNMR
Density:	1.528 g/cm³
Appearance:	White solid with a sulfudic odor
MDL:	MFCD00004860
LogP:	-0.15590

Publication Number	Title	Priority Date
WO-2015198923-A1	Composition for keratin fibers	20140624
WO-2015193808-A1	N-fluoroalkyl-substituted dibromonaphthalene diimides and their use as semiconductor	20140617
EP-2942361-A1	Grain enhancement with surfactants in water-based uv-radiation curable polyurethane dispersions	20140506
WO-2015168297-A1	Polymeric materials for bio-applications	20140429
WO-2015154883-A1	Neosoraphens	20140411

PMID	Publication Date	Title	Journal
25228698	20141031	Mercaptosuccinate dioxygenase, a cysteine dioxygenase homologue, from Variovorax paradoxus strain B4 is the key enzyme of mercaptosuccinate degradation	The Journal of biological chemistry
22770826	20121001	Label-free capacitive DNA sensor using immobilized pyrrolidinyl PNA probe: effect of the length and terminating head group of the blocking thiols	Biosensors & bioelectronics
22836611	20121001	Synthesis and pharmacological investigation of 2-(4-dimethylaminophenyl)-3,5-disubstituted thiazolidin-4-ones as anticonvulsants	Archiv der Pharmazie
22847876	20121001	Quantum dot nanoparticles affect the reproductive system of Caenorhabditis elegans	Environmental toxicology and chemistry
22662323	20120721	A colorimetric sensor based on catechol-terminated mixed self-assembled monolayers modified gold nanoparticles for ultrasensitive detections of copper ions	The Analyst

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GHS Hazard Statement:	H302 (97.52%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.99867984
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	149.99867984
Rotatable Bond Count:	3
Topological Polar Surface Area:	75.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4