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

CAS: 13431-36-2 Cat. No.: I405745 Molecular Weight: 133.21 EC Number: 665-968-4
AVAILABLE TO ORDER
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
Status
Price
Qty
250mg
I405745-250mg
4

$11.90

$17.90
Save $6.00 (33.52%)
1g
I405745-1g
3

$35.90

$53.90
Save $18.00 (33.40%)
5g
I405745-5g
5

$134.90

$202.90
Save $68.00 (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

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
Specifications & Purity
≥96%
Storage
Room temperature
Purity
≥96%
Names and Identifiers
Pubchem Sid488192005
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488192005
Canonical SmilesCC(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)
Isomeric SMILES CC(C)NC(=S)NN
Molecular Weight 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
ClassOrganonitrogen 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
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 TypeDateItem
C2311373Certificate of AnalysisJan 07, 2026 I405745
C2311372Certificate of AnalysisJan 07, 2026 I405745
C2311371Certificate of AnalysisJan 07, 2026 I405745
C2526406Certificate of AnalysisFeb 23, 2023 I405745
Chemical and Physical Properties
SolubilitySoluble in Methanol
Melt Point(°C)97 °C
Molecular Weight133.220 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
Solution Calculators
Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.