1-Carbamimidoylthiourea

Basic Information

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CAS Number

2114-02-5

Molecular Formula

C2H6N4S

Molecular Weight

118.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Melting Point

171-173 °C

Boiling Point

310.5°C at 760 mmHg

Water Solubility

7 g/100 mL (20 ºC)

Flash Point

141.6ºC

Refractive Index

1.5605 (estimate)

SMILES

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C(=NC(=S)N)(N)N

InChI

InChI=1S/C2H6N4S/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)

InChIKey

OKGXJRGLYVRVNE-UHFFFAOYSA-N

LogP

-1.4966

Topological Polar Surface Area

90.41999999999999 Å²

Hydrogen Bond Donor/Acceptor

6 / 4

Complexity

102

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

diaminomethylidenethiourea
2-Imino-4-thiobiuret
AI3-62541
1-Amidino-2-thiourea
SCHEMBL176566
AS-13173
C2H6N4S
AKOS000121404
2114-02-5
(diaminomethylene)thiourea
EINECS 218-308-0
Thiodicyanodiamidine
LF1NJY8ID8
FT-0626834
Guanylthioharnstoff
NSC 55743
CS-W016587
EC 218-308-0
(diaminomethylidene)thiourea
EN300-34314
DTXSID50175378
Amino([amino(imino)methyl]amino)thioxomethane #
W-107570
NS00004464
N-amidino-thiourea
MFCD00014472
N-diaminomethylenethiourea
guanyl isothiourea
N-Amidinothiourea
AKOS005435146
Q27282951

MDL Number

MFCD00014472

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 1-Carbamimidoylthiourea (CAS: 2114-02-5)?

1-Carbamimidoylthiourea (CAS: 2114-02-5) is a crystalline compound with a molecular weight of approximately 126.11 g/mol. It has a solubility of about 0.32 g/100 mL in water. This compound is relatively stable but can react with strong acids and bases. It decomposes above 150°C.

How is 1-Carbamimidoylthiourea (CAS: 2114-02-5) typically synthesized?

1-Carbamimidoylthiourea is typically synthesized by reacting thiourea with carbamic acid in the presence of a suitable catalyst, such as sodium hydroxide. The reaction is known to have good selectivity and yield, with the product being isolated by recrystallization from water or ethanol.

What industries use 1-Carbamimidoylthiourea (CAS: 2114-02-5)?

1-Carbamimidoylthiourea is used in the pharmaceutical industry for drug synthesis, as it can be a key intermediate in certain chemical pathways. It also finds applications in the polymer industry as a stabilizer, and in the semiconductor industry as a dopant.

What precautions should be taken when handling 1-Carbamimidoylthiourea (CAS: 2114-02-5)?

When handling 1-Carbamimidoylthiourea (CAS: 2114-02-5), it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. It should be stored in a cool, dry place, away from strong acids and bases. Spills should be handled with care, using spill cleanup kits and following safety data sheet (SDS) guidelines.