Cyanomethyl dodecyl trithiocarbonate - ≥95% , CAS No.796045-97-1

CAS: 796045-97-1 Cat. No.: C396701 Molecular Weight: 317.58 EC Number: 687-299-7
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
AS-62601 | S-Cyanomethyl-S-dodecyltrithiocarbonate, 97% | WGB04597 | Cyanomethyl dodecyl trithiocarbonate | 2-Cyanomethyl-S-dodecyltrithiocarbonate | 2-{[(DODECYLSULFANYL)METHANETHIOYL]SULFANYL}ACETONITRILE | 2-dodecylsulfanylcarbothioylsulfanylacetonitri
Storage
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
C396701-250mg
3

$22.90

$34.90
Save $12.00 (34.38%)
1g
C396701-1g
3

$27.90

$41.90
Save $14.00 (33.41%)
5g
C396701-5g
1

$123.90

$185.90
Save $62.00 (33.35%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

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

🌡

Storage & shipping

Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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
AS-62601 | S-Cyanomethyl-S-dodecyltrithiocarbonate, 97% | WGB04597 | Cyanomethyl dodecyl trithiocarbonate | 2-Cyanomethyl-S-dodecyltrithiocarbonate | 2-{[(DODECYLSULFANYL)METHANETHIOYL]SULFANYL}ACETONITRILE | 2-dodecylsulfanylcarbothioylsulfanylacetonitri
Specifications & Purity
≥95%
Legal Information
Sold for research purposes only. Not for use in humans or animals. Patents: WO98/01478, WO99/311444. RAFT Agent Kit component.
Storage
Store at 2-8°C, Protected from light, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥95%
Names and Identifiers
Canonical SmilesCCCCCCCCCCCCSC(=S)SCC#N
IUPAC Name2-dodecylsulfanylcarbothioylsulfanylacetonitrile
InChIKeyURUIKGRSOJEVQG-UHFFFAOYSA-N
INCHI1S/C15H27NS3/c1-2-3-4-5-6-7-8-9-10-11-13-18-15(17)19-14-12-16/h2-11,13-14H2,1H3
Isomeric SMILES CCCCCCCCCCCCSC(=S)SCC#N
WGK Germany 3
Molecular Weight 317.58
Reaxy-Rn 12887719
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12887719&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

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
D2529293Certificate of AnalysisApr 19, 2025 C396701
D2529294Certificate of AnalysisApr 19, 2025 C396701
D2529295Certificate of AnalysisApr 19, 2025 C396701
F2505019Certificate of AnalysisApr 19, 2025 C396701
K2109188Certificate of AnalysisAug 15, 2023 C396701
K2109186Certificate of AnalysisAug 15, 2023 C396701
K2109187Certificate of AnalysisAug 15, 2023 C396701
Chemical and Physical Properties
Sensitivitylight & moisture & heat sensitive
Flash Point(°F)230.0 °F - closed cup
Flash Point(°C)> 110 °C - closed cup
Melt Point(°C)30-33°C
Molecular Weight317.600 g/mol
XLogP37.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Exact Mass317.131 Da
Monoisotopic Mass317.131 Da
Topological Polar Surface Area106.000 Ų
Heavy Atom Count19
Formal Charge0
Complexity257.000
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
Documents & Articles
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.