Pentaerythrityl tetrathiol - CAS 4720-60-9

Catalog:	BB053648
Product Name:	Pentaerythrityl tetrathiol
CAS:	4720-60-9
Synonyms:	tetrakis(mercaptomethyl)methane

Technical Data

IUPAC Name:	2,2-bis(sulfanylmethyl)propane-1,3-dithiol
Description:	Pentaerythrityl tetrathiol, a multifunctional compound widely applied in the biomedical field, serves as a pivotal therapeutic agent for combating diverse forms of malignant tumors. Additionally, this potent compound exhibits promising anti-inflammatory properties, thus showcasing its potential as a versatile pharmacological intervention in clinical settings.
Molecular Weight:	200.41
Molecular Formula:	C5H12S4
Canonical SMILES:	C(C(CS)(CS)CS)S
InChI:	InChI=1S/C5H12S4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2
InChI Key:	MTZVWTOVHGKLOX-UHFFFAOYSA-N
Boiling Point:	368.5±37.0 °C at 760 mmHg
Purity:	97%
Density:	1.2±0.1 g/cm3

Complexity:	51.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.98218508
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	199.98218508
Rotatable Bond Count:	4
Topological Polar Surface Area:	4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5