6-Tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine - ≥95% , CAS No.81779-11-5

CAS: 81779-11-5 Cat. No.: T1365969 Molecular Weight: 210.34 EC Number: 672-121-2 PubChem CID: 2757339
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
T1365969-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$48.90
1g
T1365969-1g
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$120.90
5g
T1365969-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$367.90
10g
T1365969-10g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$653.90
25g
T1365969-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,343.90
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal 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

Specifications & Purity
≥95%
Storage
Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
Canonical SmilesCC(C)(C)C1CCC2=C(C1)SC(=N2)N
IUPAC Name6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
InChIKeyQXRJJJPFOHTPIG-UHFFFAOYSA-N
INCHI1S/C11H18N2S/c1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8/h7H,4-6H2,1-3H3,(H2,12,13)
Isomeric SMILES CC(C)(C)C1CCC2=C(C1)SC(=N2)N
PubChem CID 2757339
Molecular Weight 210.34

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
SuperclassOrganoheterocyclic compounds
ClassAzoles
SubclassThiazoles
Intermediate Tree Nodes Aminothiazoles
Direct Parent2-amino-1,3-thiazoles
Alternative Parents Heteroaromatic compounds  Azacyclic compounds  Primary amines  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 1,3-thiazol-2-amine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 2-amino-1,3-thiazoles. These are compounds containing a 1,3-thiazole ring substituted by an amine group at the 2-position.
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:
Chemical and Physical Properties
Molecular Weight210.340 g/mol
XLogP33.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass210.119 Da
Monoisotopic Mass210.119 Da
Topological Polar Surface Area67.200 Ų
Heavy Atom Count14
Formal Charge0
Complexity212.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
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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