4-Isopropyl-3-thiosemicarbazide - ≥96% , CAS No.13431-36-2

CAS: 13431-36-2 Cat. No.: I405745 Peso molecular: 133.21 Número EC: 665-968-4
Disponible para pedir
GRADE & PURITY ≥96%
Synonyms
4-isopropyl-thiosemicarbazide | Hydrazinecarbothioamide,N-(1-methylethyl)- | N-Isopropylhydrazinecarbothioamide | 1-azanyl-3-propan-2-yl-thiourea | EN300-03811 | 1-amino-3-propan-2-ylthiourea | J-006514 | 4-Isopropyl-3-thiosemicarbazide | SB86166 | s10449
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
250mg
I405745-250mg
4

11,90US$

17,90US$
Guardar 6,00 US$ (33.52%)
1g
I405745-1g
3

35,90US$

53,90US$
Guardar 18,00 US$ (33.40%)
5g
I405745-5g
5

134,90US$

202,90US$
Guardar 68,00 US$ (33.51%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
4-isopropyl-thiosemicarbazide | Hydrazinecarbothioamide, N-(1-methylethyl)- | N-Isopropylhydrazinecarbothioamide | 1-azanyl-3-propan-2-yl-thiourea | EN300-03811 | 1-amino-3-propan-2-ylthiourea | J-006514 | 4-Isopropyl-3-thiosemicarbazide | SB86166 | s10449
Especificaciones y pureza
≥96%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥96%
Nombres e identificadores
Pubchem Sid488192005
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488192005
Sonrisas canónicasCC(C)NC(=S)NN
IUPAC Name1-amino-3-propan-2-ylthiourea
InChIKeyWMFXGKCDSJXKHO-UHFFFAOYSA-N
INCHI1S/C4H11N3S/c1-3(2)6-4(8)7-5/h3H,5H2,1-2H3,(H2,6,7,8)
Isómeros SMILES CC(C)NC(=S)NN
Peso molecular 133.21
Reaxy-Rn 1749077
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1749077&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic nitrogen compounds
ClaseOrganonitrogen compounds
SubclassHydrazines and derivatives
Intermediate Tree Nodes Not available
Direct ParentThiosemicarbazides
Alternative Parents Organosulfur compounds  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Thiosemicarbazide - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
DescripciónThis compound belongs to the class of organic compounds known as thiosemicarbazides. These are compounds containing a derivative of thiosemicarbazide with the general structure R1N(R2)N(R3)C(=S)N(R4)R5 (R1-R5=H, alkyl, aryl) where the ketone group has carbonyl group has been replaced with a thiocarbonyl group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeFechaArticulo
C2311373Certificate of AnalysisJan 07, 2026 I405745
C2311372Certificate of AnalysisJan 07, 2026 I405745
C2311371Certificate of AnalysisJan 07, 2026 I405745
C2526406Certificate of AnalysisFeb 23, 2023 I405745
Propiedades químicas y físicas
SolubilidadSoluble in Methanol
Punto de fusión (°C)97 °C
Peso molecular133.220 g/mol
XLogP30.000
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass133.067 Da
Monoisotopic Mass133.067 Da
Topological Polar Surface Area82.200 Ų
Heavy Atom Count8
Formal Charge0
Complexity81.400
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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