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Cyclohexylthiourea - 98%, high purity , CAS No.5055-72-1
Basic Description
Synonyms
T70976 | BZE8855DMD | DTXSID30198585 | N'-cyclohexyl-thio-urea | N-Cyclohexylthiourea | STL472871 | SCHEMBL1528011 | THIOUREA, N-CYCLOHEXYL- | C2966 | Thiourea, cyclohexyl- | BRN 2689850 | FT-0682077 | MFCD00060341 | 2N-016 | Thiourea, cyclohexyl- (9CI) |
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioureas
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thioureas
Alternative Parents
Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Thiourea - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as thioureas. These are organic compounds containing the thiourea functional group, a derivative of urea with the general structure (R1(N)R2C(=S)(R3)R4, R1-R4=H, alkyl, aryl), obtained by replacing the carbonyl group of urea with a thiocarbonyl group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
504760494
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504760494
IUPAC Name
cyclohexylthiourea
INCHI
InChI=1S/C7H14N2S/c8-7(10)9-6-4-2-1-3-5-6/h6H,1-5H2,(H3,8,9,10)
InChIKey
LEEHHPPLIOFGSC-UHFFFAOYSA-N
Smiles
C1CCC(CC1)NC(=S)N
Isomeric SMILES
C1CCC(CC1)NC(=S)N
RTECS
YS7700000
Molecular Weight
158.26
Reaxy-Rn
2689850
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2689850&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
164 °C
Molecular Weight
158.270 g/mol
XLogP3
1.400
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
158.088 Da
Monoisotopic Mass
158.088 Da
Topological Polar Surface Area
70.100 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
119.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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