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Safety Information

251038

Sigma-Aldrich

2-Benzyl-2-thiopseudourea hydrochloride

98%

Synonym(s):

S-Benzylisothiourea hydrochloride, S-Benzylthiuronium chloride

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About This Item

Linear Formula:
C6H5CH2SC(=NH)NH2 · HCl
CAS Number:
538-28-3
Molecular Weight:
202.70
Beilstein:
3656719
EC Number:
208-688-6
MDL number:
MFCD00012583
UNSPSC Code:
12352100
PubChem Substance ID:
24855097
NACRES:
NA.22

Quality Level

200

Assay

98%

form

solid

mp

177-179 °C (lit.)

solubility

methanol: soluble 1 g/10 mL, clear, colorless to very faintly yellow

functional group

amine
phenyl
thioether

SMILES string

Cl.NC(=N)SCc1ccccc1

InChI

1S/C8H10N2S.ClH/c9-8(10)11-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H3,9,10);1H

InChI key

WJAASTDRAAMYNK-UHFFFAOYSA-N

General description

S-benzylisothiourea analogs (2-benzyl-2-thiopseudourea hydrochloride), as small-molecule inhibitors of indoleamine-2,3-dioxygenase, has been studied.

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H300

Precautionary Statements

P264 - P301 + P310

Hazard Classifications

Acute Tox. 2 Oral

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

251038-25G:
251038-VAR:
251038-100G:
251038-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
BCBB3705
BCBB3706
BCBB3707
BCBB3705V
BCBB3706V

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Kenji Matsuno et al.
Bioorganic & medicinal chemistry letters, 20(17), 5126-5129 (2010-08-07)
S-benzylisothiourea 3a was discovered by its ability to inhibit indoleamine-2,3-dioxygenase (IDO) in our screening program. Subsequent optimization of the initial hit 3a lead to the identification of sub-muM inhibitors 3r and 10h, both of which suppressed kynurenine production in A431

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