5-[(Naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazole-2-thiol - ≥95% , CAS No.174728-84-8

CAS: 174728-84-8 Cat. No.: N1286756 Molecular Weight: 290.4
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Storage
Room temperature
Shipped In
Normal
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Size
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50mg
N1286756-50mg
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$361.90
100mg
N1286756-100mg
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$404.90
250mg
N1286756-250mg
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$450.90
500mg
N1286756-500mg
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$599.90
1g
N1286756-1g
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$743.90
2.5g
N1286756-2.5g
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$1,184.90
5g
N1286756-5g
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$1,613.90
10g
N1286756-10g
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$2,252.90
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Why this grade

≥95% 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.

Specifications

Specifications & Purity
≥95%
Storage
Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
Canonical SmilesC1=CC=C2C(=C1)C=CC=C2CSC3=NNC(=S)S3
IUPAC Name5-(naphthalen-1-ylmethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione
InChIKeyKWHDYVOORZSSGH-UHFFFAOYSA-N
INCHI1S/C13H10N2S3/c16-12-14-15-13(18-12)17-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,14,16)
Molecular Weight 290.4

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.

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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
SuperclassBenzenoids
ClassNaphthalenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentNaphthalenes
Alternative Parents Alkylarylthioethers  Thiadiazoles  Heteroaromatic compounds  Sulfenyl compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Naphthalene - Aryl thioether - Alkylarylthioether - Azole - Thiadiazole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
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 Weight290.400 g/mol
XLogP34.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass290.001 Da
Monoisotopic Mass290.001 Da
Topological Polar Surface Area107.000 Ų
Heavy Atom Count18
Formal Charge0
Complexity356.000
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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