N,N′-Di-Boc-thiourea - ≥97% , CAS No.145013-05-4

CAS: 145013-05-4 Cat. No.: D124609 Molecular Weight: 276.35 EC Number: 193-254-8
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
bis boc thiourea | DTXSID40409351 | N,N`-Di-Boc-thiourea | B4559 | tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylcarbamothioyl]carbamate | tert-butyl N-({[(tert-butoxy)carbonyl]amino}methanethioyl)carbamate | N,N'-Bis-tert-butoxycarbonylthiourea | di-Boc-
Storage
Room temperature
Shipped In
Normal
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

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

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Quality documents

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

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Literature proof

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

Overview

N,N′-Di-Boc-thiourea (N,N′-di-Boc-substituted thiourea), also known as di-Boc-thiourea is a thioacylating agent for preparing thiocarbonyl compounds.

Specifications

Synonyms
bis boc thiourea | DTXSID40409351 | N, N`-Di-Boc-thiourea | B4559 | tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylcarbamothioyl]carbamate | tert-butyl N-({[(tert-butoxy)carbonyl]amino}methanethioyl)carbamate | N, N'-Bis-tert-butoxycarbonylthiourea | di-Boc-
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid488195144
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488195144
Canonical SmilesCC(C)(C)OC(=O)NC(=S)NC(=O)OC(C)(C)C
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonylcarbamothioyl]carbamate
InChIKeyCSOJECDGWHHWRS-UHFFFAOYSA-N
INCHI1S/C11H20N2O4S/c1-10(2,3)16-8(14)12-7(18)13-9(15)17-11(4,5)6/h1-6H3,(H2,12,13,14,15,18)
Isomeric SMILES CC(C)(C)OC(=O)NC(=S)NC(=O)OC(C)(C)C
WGK Germany 3
Molecular Weight 276.35
Reaxy-Rn 5815972
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5815972&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Carbamic acids and derivatives
Direct ParentCarbamate esters
Alternative Parents Thioureas  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents Carbamic acid ester - Thiourea - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as carbamate esters. These are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids.
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.

7 results found

Lot NumberCertificate TypeDateItem
E2628368Certificate of AnalysisMar 14, 2026 D124609
E2628386Certificate of AnalysisMar 14, 2026 D124609
E2628388Certificate of AnalysisMar 14, 2026 D124609
J2129637Certificate of AnalysisAug 11, 2025 D124609
J2129638Certificate of AnalysisAug 11, 2025 D124609
F1508155Certificate of AnalysisMar 07, 2023 D124609
D2303322Certificate of AnalysisNov 04, 2021 D124609
Chemical and Physical Properties
Melt Point(°C)131-135°C
Molecular Weight276.350 g/mol
XLogP33.400
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass276.114 Da
Monoisotopic Mass276.114 Da
Topological Polar Surface Area109.000 Ų
Heavy Atom Count18
Formal Charge0
Complexity310.000
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
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