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Merck
CN

112917

2-Methyl-1-propanethiol

92%, technical grade

Synonym(s):

Isobutyl mercaptan

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About This Item

Linear Formula:
(CH3)2CHCH2SH
CAS Number:
513-44-0
Molecular Weight:
90.19
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24847119
EC Number:
208-162-6
Beilstein/REAXYS Number:
1730890
MDL number:
MFCD00004882

Key Documents

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Product Name

2-Methyl-1-propanethiol, 92%, technical grade

InChI key

BDFAOUQQXJIZDG-UHFFFAOYSA-N

InChI

1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3

SMILES string

CC(C)CS

grade

technical grade

vapor density

3.1 (vs air)

vapor pressure

124 mmHg ( 37.8 °C)

assay

92%

refractive index

n20/D 1.4385 (lit.)

bp

87-89 °C (lit.)

solubility

H2O: slightly soluble
alcohol: very soluble
diethyl ether: very soluble

density

0.831 g/mL at 25 °C (lit.)

functional group

thiol

Quality Level

100

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General description

2-methyl-1-propanethiol attaches with L-Cys (the carrier) via a disulfide bond to form the brain-targeted drug delivery systems (BTDS).

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

14.0 °F - closed cup

flash_point_c

-10 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SHBR7338
SHBP2621
SHBP1739
SHBM6455
MKCG8345

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Dennis M Killian et al.
Drug delivery, 14(1), 25-31 (2006-11-17)
We describe a novel strategy to achieve high affinity recognition for the specific, cerebrovascular large neutral amino acid transporter (LAT1) isoform by covalent coupling of small molecules to the amino acid, L-cysteine (L-Cys). L-Cys (as the carrier) was covalently attached

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