CAS 107-03-9 1-Propanethiol - Materials / Alfa Chemistry

NAVIGATION

1-Propanethiol

PRICE INQUIRY

Catalog Number

ACM107039-1

CAS Number

107-03-9

Product Name

1-Propanethiol

Structure

Category

Self-Assembly Materials; Self Assembly and Contact Printing Materials

Synonyms

Propanethiol

Description

Propyl mercaptan appears as a colorless liquid with a strong, offensive odor. Moderately toxic. Flash point below 0°F. Less dense than water and slightly soluble in water. Hence floats on water. Used as a chemical intermediate and a herbicide.;Liquid;Liquid;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.;colourless to pale yellow liquid with cabbage-like, sulfuraceous odour;Colorless liquid with an offensive, cabbage-like odor.

IUPAC Name

propane-1-thiol

Molecular Weight

76.16

Molecular Formula

C3H8S

Canonical SMILES

CCCS

InChI

InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3

InChI Key

SUVIGLJNEAMWEG-UHFFFAOYSA-N

Boiling Point

153 °F at 760 mm Hg (USCG, 1999);67.8 °C;67.8 °C;68 °C;153°F

Melting Point

-171 °F (USCG, 1999);-113.3 °C;Mp -113.3 °;-113.3 °C;-113.3°C;-113 °C;-172°F

Flash Point

5 °F (USCG, 1999);-5 °F; -20.5 °C;-20 °C;-5°F

Density

0.841 at 68 °F (USCG, 1999);d254 0.84;0.843 g/cu cm at 20 °C;Relative density (water = 1): 0.84;0.842-0.847;0.84

Solubility

Slight (NIOSH, 2016);0.02 M;1.9 mg/mL at 25 °C;Miscible in ethanol, ether; very soluble in acetone;SOL IN PROPYLENE GLYCOL;Soluble in ethanol, ether, acetone, benzene;In water, 1.90X10+3 mg/L at 25 °C;1.9 mg/mL at 25 °C;Solubility in water, g/100ml at 25 °C: 0.190;soluble in water, alcohol, propylene glycol and oils;Slight

Application

1-Propanethiol is a colorless liquid known for its strong, offensive odor. This organic compound, with the molecular formula C3H8S, is a member of the thiol group. Primarily used as a chemical intermediate and a herbicide, it plays a crucial role in various industrial processes. While moderately toxic, 1-Propanethiol is characterized by its flammability and its ability to emit irritating or toxic fumes when exposed to fire. Additionally, the liquid is less dense than water and possesses slight solubility in water, though caution is necessary due to the risk of pressure build-up and potential bursting when heated.

Color/Form

COLORLESS, MOBILE LIQUID;Colorless liquid

Complexity

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

EC Number

203-455-5

Exact Mass

76.0346

Formal Charge

Heat of Vaporization

179 Btu/lb= 99 cal/g= 4.16x10+5 J/kg

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

ICSC Number

1492

Isotope Atom Count

Log P

1.81 (LogP);1.81;log Kow = 1.81;1.81;1.7 (estimated)

MeSH Entry Terms

1-propylmercaptan;propanethiol;propanethiol, sodium salt

Monoisotopic Mass

76.0346

Odor

Offensive;Characteristic odor of cabbage

Other Experimental

Forms binary azeotropic mixture with propyl alcohol (91.35%) & ternary azeotrope with water & propyl alcohol;Henry's Law constant = 4.08X10-3 atm-cu m/mol at 25 °C;Hydroxyl radical reaction rate constant = 4.83X10-11 cu cm/molec-sec at 25 °C

Refractive Index

n25D 1.4351;Index of refraction: 1.4380 @ 20 °C/D;1.438

Rotatable Bond Count

RTECS Number

TZ7300000

Topological Polar Surface Area

1 Å²

UNII

4AB0N08V2H

UN Number

2402;2402;2402;2402;2402;2402

Vapor Density