1-Mercapto-2-propanol - CAS 1068-47-9

Catalog:	BB001931
Product Name:	1-Mercapto-2-propanol
CAS:	1068-47-9
Synonyms:	1-sulfanylpropan-2-ol

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Computed Properties

IUPAC Name:	1-sulfanylpropan-2-ol
Description:	1-Mercapto-2-propanol (CAS# 1068-47-9 ) is a useful research chemical.
Molecular Weight:	92.16
Molecular Formula:	C3H8OS
Canonical SMILES:	CC(CS)O
InChI:	InChI=1S/C3H8OS/c1-3(4)2-5/h3-5H,2H2,1H3
InChI Key:	FETFXNFGOYOOSP-UHFFFAOYSA-N
Boiling Point:	146 °C at 760 mmHg
Flash Point:	63 °C(145.4 °F)
Purity:	95 %
Density:	1.048 g/mL at 25 °C(lit.)
Appearance:	Colorless liquid
MDL:	MFCD00004878
LogP:	0.29700
Refractive Index:	1.486 (lit.)

Publication Number	Title	Priority Date
CN-113372549-A	Vinyl-terminated hyperbranched polymer, viscosity-reducing polycarboxylate superplasticizer with hyperbranched structure and preparation method of viscosity-reducing polycarboxylate superplasticizer	20210803
CN-113307973-A	Poly disulfide material with excellent optical performance and preparation method thereof	20210610
ES-2809348-B2	POLYMERS FOR GENE THERAPY	20201027
CN-111847977-A	Nano PCE/CSH crystal nucleus early strength agent and preparation method thereof	20200706
KR-102174457-B1	Compounds for quantum dot ligand comprising a (meth)acrylate structure having carboxyl group, quantum dot particles comprising quantum dot ligands formed by the compounds, and composition comprising the quantum dot particles, and preparation method of the compounds	20200603

PMID	Publication Date	Title	Journal
16358296	20060201	Diastereoisomerism of thiol complexes of arsenic acids and pseudoasymmetry of arsenic: a 1H and 13C NMR study	Magnetic resonance in chemistry : MRC
15354438	20040730	Development of reactive thiol-modified monolithic capillaries and in-column surface functionalization by radical addition of a chromatographic ligand for capillary electrochromatography	Journal of chromatography. A
12354040	20021007	Elucidating drug-metalloprotein interactions with tris(pyrazolyl)borate model complexes	Inorganic chemistry
12206697	20020909	Kinetics and mechanism of oxygen atom abstraction from a dioxo-rhenium(VII) complex	Inorganic chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	22.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	92.02958605
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	92.02958605
Rotatable Bond Count:	1
Topological Polar Surface Area:	21.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3