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Key Documents

59590

Sigma-Aldrich

2-Propanethiol

≥97.0% (GC)

Synonym(s):

1-Methylethanethiol, Isopropyl mercaptan

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About This Item

Linear Formula:
(CH3)2CHSH
CAS Number:
Molecular Weight:
76.16
Beilstein:
605260
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

vapor density

2.6 (vs air)

vapor pressure

455 mmHg ( 37.8 °C)

Assay

≥97.0% (GC)

refractive index

n20/D 1.426 (lit.)
n20/D 1.426

bp

57-60 °C (lit.)

mp

−131 °C (lit.)

density

0.82 g/mL at 25 °C (lit.)

functional group

thiol

SMILES string

CC(C)S

InChI

1S/C3H8S/c1-3(2)4/h3-4H,1-2H3

InChI key

KJRCEJOSASVSRA-UHFFFAOYSA-N

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Application

2-Propanethiol can react with 6-nitroquinoline in the presence of excess sodium hydride to form 5-isopropylthio-6-nitroquinoline as the major product.

Signal Word

Danger

Hazard Statements

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Flam. Liq. 2 - Skin Sens. 1

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

-23.8 °F - closed cup

Flash Point(C)

-31 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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?Direct thioalkylation of nitroquinolines with alkanethiolate anions via nucleophilic displacement of a ring hydrogen atom?
Kawakami T and Suzuki H
Journal of the Chemical Society. Perkin Transactions 1, (21), 3640-3644 (2000)

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