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TES-ADT

CAT: 0926-BJB81711-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-BJB81711-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
851817-11-3
Smiles
CC[Si] (CC) (CC) C#CC1=C2C=C3C (=CC2=C (C4=C1C=C5C=CSC5=C4) C#C[Si] (CC) (CC) CC) C=CS3
Molecular Formula
C34H38S2Si2
Molecular Weight
567 g/mol
Controlled
No

Chemical Information

Tes-adt
CAS Number851817-11-3
PubChem CID59204158
IUPAC Nametriethyl-[2-[12-(2-triethylsilylethynyl)-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane
Molecular FormulaC34H38S2Si2
Molecular Weight567.0
Topological Polar Surface Area56.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Heavy Atom Count38
Formal Charge0
Complexity861
SMILES
CC[Si](CC)(CC)C#CC1=C2C=C3C(=CC2=C(C4=C1C=C5C=CSC5=C4)C#C[Si](CC)(CC)CC)C=CS3
InChI
InChI=1S/C34H38S2Si2/c1-7-37(8-2,9-3)19-15-27-29-21-25-13-17-36-34(25)24-32(29)28(16-20-38(10-4,11-5)12-6)30-22-26-14-18-35-33(26)23-31(27)30/h13-14,17-18,21-24H,7-12H2,1-6H3
InChIKey
NYBWUHOMYZZKOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tes-adt
CAS: 851817-11-3
CID: 59204158
Formula: C34H38S2Si2
MW: 567.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight567.0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Exact Mass566.19534663
Monoisotopic Mass566.19534663
Topological Polar Surface Area56.5 Ų
Heavy Atom Count38
Formal Charge0
Complexity861
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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