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Thiourea-¹³C - 99 atom% ¹³C；98%（CP）, high purity , CAS No.113899-66-4

COA

Grade & Purity:

≥99 atom% ¹³C,≥98%

Cas Number: 113899-66-4
Molecular Weight: 77.11
PubChem CID: 12201089
PubChem SID: 488197933

In stock

Item Number

T345544

Grouped product items
SKU	Size	Availability	Price	Qty
T345544-100mg	100mg	1	$868.90
T345544-25mg	25mg	3	$334.90

Basic Description

Synonyms	J-003039 \| AKOS015898388 \| Thiourea-13C, 99 atom % 13C \| diamino(113C)methanethione \| DTXSID80480200 \| Thiourea-13C
Specifications & Purity	≥99 atom% 13C,≥98%
Storage Temp	Protected from light,Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Thioureas

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Thioureas
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thioureas
Alternative Parents	Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Thiourea - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic 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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488197933
IUPAC Name	diamino(113C)methanethione
INCHI	InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)/i1+1
InChIKey	UMGDCJDMYOKAJW-OUBTZVSYSA-N
Smiles	C(=S)(N)N
Isomeric SMILES	[13C](=S)(N)N
PubChem CID	12201089
Molecular Weight	77.11

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
F23101322	Certificate of Analysis	May 11, 2023	T345544
F23101323	Certificate of Analysis	May 11, 2023	T345544
F23101324	Certificate of Analysis	May 11, 2023	T345544
F23101256	Certificate of Analysis	May 11, 2023	T345544

Chemical and Physical Properties

Sensitivity	Moisture sensitive;light sensitive
Melt Point(°C)	170-176℃
Molecular Weight	77.120 g/mol
XLogP3	-0.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	77.0129 Da
Monoisotopic Mass	77.0129 Da
Topological Polar Surface Area	84.100 Å²
Heavy Atom Count	4
Formal Charge	0
Complexity	29.000
Isotope Atom Count	1
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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