3-Mercapto-1,2-propanediol 90% aqueous solution

CAT: 0286-M03870-01Size: 100 gDry Ice: NoHazardous: Yes

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CAT#:0286-M03870-01Size:100 g

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CAS Number

96-27-5

Synonyms

A-Thioglycerol; 1-Thioglycerol; a-Monothioglycerol; 2,3-Dihydroxypropanethiol

UN Code

UN2810

Pictogram

06 - Acute Toxicity; 07 - Irritant

UDF Signal Word

Danger

MDL Number

MFCD00004879

Hazard Statement

H302 Harmful if swallowed; H311 Toxic in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.

DOT Name

Toxic, Liquids, Organic, N.O.S.

DOT Classification

Class 6.1

Packaging Group

PGIII

Precautions

P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Thioglycerol

Monothioglycerol is a thiol that is glycerol in which one of the primary hydroxy groups is replaced by a thiol group. It has a role as a reducing agent and a vulnerary. It is a member of propane-1,2-diols and a thiol.

CAS Number	96-27-5
PubChem CID	7291
IUPAC Name	3-sulfanylpropane-1,2-diol
Molecular Formula	C3H8O2S
Molecular Weight	108.16
XLogP	-0.8
Topological Polar Surface Area	41.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	32

SMILES

C(C(CS)O)O

InChI

InChI=1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2

InChIKey

PJUIMOJAAPLTRJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 96-27-5

CID: 7291

Formula: C3H8O2S

MW: 108.16

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	108.16
XLogP3	-0.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	108.02450067
Monoisotopic Mass	108.02450067
Topological Polar Surface Area	41.5 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	32
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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3-Mercapto-1,2-propanediol 90% aqueous solution

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