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Key Documents

Safety Information

D100900

Sigma-Aldrich

N,N′-Diethylthiourea

98%

Synonym(s):

1,3-Diethyl-2-thiourea, 1,3-Diethylthiourea, N,N′-Diethylthiocarbamide, N,N′-Diethylthiourea

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About This Item

Linear Formula:
(C2H5NH)2CS
CAS Number:
Molecular Weight:
132.23
Beilstein:
773905
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

98%

form

crystals

mp

76-78 °C (lit.)

SMILES string

CCNC(=S)NCC

InChI

1S/C5H12N2S/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)

InChI key

FLVIGYVXZHLUHP-UHFFFAOYSA-N

Gene Information

human ... EPHX2(2053)
mouse ... Ephx2(13850)

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Application

N,N′-Diethylthiourea can be used as a reactant to prepare:
  • 3,5-Diethyltetrahydro-4-thioxo-1,3,5-triazine-1(2H)-propanoic acid by condensation reaction with formaldehyde and β-alanine.
  • Methyl 3-ethyl-2-(ethylimino)-3,4-dihydro-4-oxo-2H-1,3-thiazine-6-carboxylate by one-pot reaction with dimethyl acetylenedicarboxylate in the presence of triphenylphosphine catalyst.
  • 2-(Ethylimino)-3-ethyl-thiazolidin-4-one by cyclization reaction with 2-chloroacetic acid.
  • 3-Ethyl-2-(ethylimino)-4-oxo-5-thiazolidineacetamide by condensation reaction with maleimides via Michael-type reaction.

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Aquatic Chronic 3 - Carc. 2 - Eye Dam. 1 - Skin Sens. 1B

Storage Class Code

11 - Combustible Solids

WGK

WGK 2

Flash Point(F)

366.8 °F

Flash Point(C)

186 °C

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.

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

D100900-250G:
D100900-VAR:
D100900-BULK:
D100900-5G:
D100900-1KG:


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Ph 3 P-mediated one-pot synthesis of functionalized 3, 4-dihydro-2 H-1, 3-thiazines from N, N?-dialkylthioureas and activated acetylenes in water
Yavari I, et al.
Monatshefte fur Chemie / Chemical Monthly, 141(2), 229-232 (2010)

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