Thiophene-2-thiol,5-(1,1-dimethylethoxy)-(CAS No. 54789-36-5) CAS NO.54789-36-5

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Product Details

Keywords

Thiophene-2-thiol,5-(1,1-dimethylethoxy)-
54789-36-5
98%

Quick Details

ProName: Thiophene-2-thiol,5-(1,1-dimethylethox...
CasNo: 54789-36-5
Molecular Formula: C8H12 O S2
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: as client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 1 Metric Ton/Month
Purity: 99%
Storage: Room Temperature
Transportation: as requested
LimitNum: 1 Gram

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Details

【Name】
Thiophene-2-thiol,5-(1,1-dimethylethoxy)-
【CAS Registry number】
54789-36-5
【Synonyms】
2-Thiophenethiol,5-(1,1-dimethylethoxy)- (9CI)
2-Thiophenethiol, 5-tert-butoxy- (7CI)
NSC75768
【Molecular Formula】
C8H12 O S2 (Products with the same molecular formula)
【Molecular Weight】
188.3103
【Inchi】
InChI=1/C8H12OS2/c1-8(2,3)9-6-4-5-7(10)11-6/h4-5,10H,1-3H3
【Canonical SMILES】
CC(C)(C)OC1=CC=C(S1)S
Chemical and Physical Properties
【Density】
1.14g/cm3
【Boiling Point】
263.4°C at 760 mmHg
【Refractive Index】
1.559
【Flash Point】
113.1°C
【Computed Properties】
Molecular Weight:188.31028 [g/mol]
Molecular Formula:C8H12OS2
XLogP3-AA:3.4
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:2
Tautomer Count:2
Exact Mass:188.032956
MonoIsotopic Mass:188.032956
Topological Polar Surface Area:38.5
Heavy Atom Count:11
Formal Charge:0
Complexity:131
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:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:5

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