二环己基硫脲

Description

Dicyclohexylthiourea · CAS 1212-29-9 · C13H24N2S. UNII 854CTM0T34. Vapor Pressure: 0.0000221 [mmHg].

Identification

CAS Registry Number	1212-29-9
PubChem CID	727200
Molecular formula	C13H24N2S
IUPAC name	1,3-dicyclohexylthiourea
UNII (FDA)	854CTM0T34

Computed Descriptors

Molecular Weight	240.41
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	240.16601995
Monoisotopic Mass	240.16601995
Topological Polar Surface Area	56.2
Heavy Atom Count	16
Formal Charge	0

Physical & Chemical Properties

Vapor Pressure	0.0000221 [mmHg]

Physical description & handling notes

• N,n'-dicyclohexylthiourea appears as white crystals. (NTP, 1992)
• White solid; [CAMEO] White odorless crystalline powder; [Alfa Aesar MSDS]
• less than 0.1 mg/mL at 70 °F (NTP, 1992)
• When heated to decomposition it emits very toxic fumes.
• 162.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9020451]
• 165.7 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID9020451]

GHS Hazard Classification

Reported hazard statements	H302 (11.4%), H413 (86.4%)

Documented Uses

• Used as a biocide in cutting fluids and an intermediate for dicyclohexylcarbodiimide; [HSDB] Also used as reagent for synthesis of peptide and phosphodiester internucleotide bonds; [NTP]
• Metal Machining [Category: Heat or Machine]
• CHEM INT FOR DICYCLOHEXYLCARBODIIMIDE (NO EVIDENCE OF CURRENT USE)
• (1977) NOT PRODUCED COMMERCIALLY IN USA
• (1979) NOT PRODUCED COMMERCIALLY IN USA
• Thiourea, N,N'-dicyclohexyl-: INACTIVE

Synonyms

1212-29-9; N,N'-DICYCLOHEXYLTHIOUREA; 1,3-Dicyclohexyl-2-thiourea; 1,3-Bis(cyclohexyl)thiourea; Sym-dicyclohexythiourea; sym-Dicyclohexylthiourea; Dicyclohexyl thiourea; NCI-C04524; Dicyclohexylthiourea; N,N'-Dicyclohexylthiocarbamide; Urea, 1,3-dicyclohexyl-2-thio-; DTXSID9020451; 854CTM0T34; NSC-33443; DTXCID70451; RefChem:160994

Frequently Asked Questions

What are the CAS number and molecular formula of Dicyclohexylthiourea?

CAS 1212-29-9; molecular formula C13H24N2S; molecular weight — g/mol.

What other names is Dicyclohexylthiourea known by?

1212-29-9, N,N'-DICYCLOHEXYLTHIOUREA, 1,3-Dicyclohexyl-2-thiourea, 1,3-Bis(cyclohexyl)thiourea, Sym-dicyclohexythiourea, sym-Dicyclohexylthiourea.

Is Dicyclohexylthiourea classified as hazardous?

Hazard statements reported: H302, H413.

What are the key physical properties of Dicyclohexylthiourea?

Vapor Pressure: 0.0000221 [mmHg].

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.