4-[(4-chlorobenzyl)sulfanyl]-6,7-dimethoxycinnoline 5387-86-0 CAS NO.5387-86-0

Min.Order: 1 Kilogram
Payment Terms: L/C,T/T,

Product Details

Keywords

4-((4-Chlorobenzyl)thio)-6,7-dimethoxycinnoline
5387-86-0
98%

Quick Details

ProName: 4-[(4-chlorobenzyl)sulfanyl]-6,7-dimet...
CasNo: 5387-86-0
Molecular Formula: C17H15ClN2O2S
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: as client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: Room Temperature
Transportation: as requested
LimitNum: 1 Kilogram
Heavy metal: N/A
Grade: Industrial Grade

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Details

Identification and Related Records
【Name】
4-[(4-chlorobenzyl)sulfanyl]-6,7-dimethoxycinnoline
【Iupac name】
4-[(4-chlorophenyl)methylsulfanyl]-6,7-dimethoxycinnoline
【CAS Registry number】
5387-86-0
【Synonyms】
4-((4-Chlorobenzyl)thio)-6,7-dimethoxycinnoline
【Molecular Formula】
C17H15ClN2O2S (Products with the same molecular formula)
【Molecular Weight】
346.8312
【Inchi】
InChI=1/C17H15ClN2O2S/c1-21-15-7-13-14(8-16(15)22-2)20-19-9-17(13)23-10-11-3-5-12(18)6-4-11/h3-9H,10H2,1-2H3
【Canonical SMILES】
COC1=C(C=C2C(=C1)C(=CN=N2)SCC3=CC=C(C=C3)Cl)OC
【MOL File】
5387-86-0.mol
Chemical and Physical Properties
【Density】
1.35g/cm3
【Boiling Point】
516.2°C at 760 mmHg
【Refractive Index】
1.665
【Flash Point】
266°C
【Computed Properties】
Molecular Weight:346.8312 [g/mol]
Molecular Formula:C17H15ClN2O2S
XLogP3-AA:3.8
H-Bond Donor:0
H-Bond Acceptor:5
Rotatable Bond Count:5
Exact Mass:346.054276
MonoIsotopic Mass:346.054276
Topological Polar Surface Area:69.5
Heavy Atom Count:23
Formal Charge:0
Complexity:369
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:3
Effective Rotor Count:5
Conformer Sampling RMSD:0.8
CID Conformer Count:23

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