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

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1-Propanethiol

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Catalog Number

ACM107039

Product Name

1-Propanethiol

Structure

CAS

107-03-9

Category

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

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