[[3,5-bis[bis(trimethylsilyl)methyl]-2-sulfanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane

C27H59BSSi6 — CID 15335978

IUPAC[[3,5-bis[bis(trimethylsilyl)methyl]-2-sulfanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane
SMILESC[Si](C)(C)C(c1cc(C([Si](C)(C)C)[Si](C)(C)C)c(B=S)c(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C
InChIInChI=1S/C27H59BSSi6/c1-30(2,3)25(31(4,5)6)21-19-22(26(32(7,8)9)33(10,11)12)24(28-29)23(20-21)27(34(13,14)15)35(16,17)18/h19-20,25-27H,1-18H3
InChIKeyLOKFTMRDMQTLKD-UHFFFAOYSA-N
MW595.16 g/mol
LogP9.64
Rot. Bonds10

About [[3,5-bis[bis(trimethylsilyl)methyl]-2-sulfanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane

[[3,5-bis[bis(trimethylsilyl)methyl]-2-sulfanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane (PubChem CID 15335978) has the molecular formula C27H59BSSi6 and a molecular weight of 595.16 g/mol. Its IUPAC name is [[3,5-bis[bis(trimethylsilyl)methyl]-2-sulfanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane.

Molecular Properties

Compound Name[[3,5-bis[bis(trimethylsilyl)methyl]-2-sulfanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane
PubChem CID15335978
Molecular FormulaC27H59BSSi6
Molecular Weight595.16 g/mol
Exact Mass594.30
IUPAC Name[[3,5-bis[bis(trimethylsilyl)methyl]-2-sulfanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane
SMILESC[Si](C)(C)C(c1cc(C([Si](C)(C)C)[Si](C)(C)C)c(B=S)c(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C
InChIInChI=1S/C27H59BSSi6/c1-30(2,3)25(31(4,5)6)21-19-22(26(32(7,8)9)33(10,11)12)24(28-29)23(20-21)27(34(13,14)15)35(16,17)18/h19-20,25-27H,1-18H3
InChIKeyLOKFTMRDMQTLKD-UHFFFAOYSA-N
XLogP9.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.16
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

alpha,alpha,alpha-Tris(trimethylsilyl)ethylbenzene
CID 142009
Silane, (phenylmethylene)bis(trimethyl-
CID 139789
Silane, (1,3-phenylenebis(methylene))bis(trimethyl-
CID 140383
1,3-Bis[(trimethylsilyl)ethynyl]benzene
CID 142239
Silane, (1,3,5-benzenetriyltris(methylene)tris(trimethyl-
CID 143608
(2,4-Dimethylphenyl)trimethylsilane
CID 12498838
2,alpha-Bis(trimethylsilyl)toluene
CID 137252
(2,4,6-Tri-tert-butylphenyl)(difluoro)methylsilane
CID 13449381
Silane, (phenylethenylidene)bis(trimethyl-
CID 140385
Trimethyl-(3-methyl-benzyl)-silane
CID 10535331
1,2-Bis(trimethylsilyl)-4-methylbenzene
CID 609661
1,3,5-Tris((trimethylsilyl)ethynyl)benzene
CID 10761444

Frequently Asked Questions

What is the IUPAC name of [[3,5-bis[bis(trimethylsilyl)methyl]-2-sulfanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane?
The IUPAC name of [[3,5-bis[bis(trimethylsilyl)methyl]-2-sulfanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane (CID 15335978) is [[3,5-bis[bis(trimethylsilyl)methyl]-2-sulfanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane.
What is the SMILES notation for [[3,5-bis[bis(trimethylsilyl)methyl]-2-sulfanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane?
The canonical SMILES for [[3,5-bis[bis(trimethylsilyl)methyl]-2-sulfanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane is C[Si](C)(C)C(c1cc(C([Si](C)(C)C)[Si](C)(C)C)c(B=S)c(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C.
What is the InChIKey of [[3,5-bis[bis(trimethylsilyl)methyl]-2-sulfanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane?
The InChIKey is LOKFTMRDMQTLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H59BSSi6/c1-30(2,3)25(31(4,5)6)21-19-22(26(32(7,8)9)33(10,11)12)24(28-29)23(20-21)27(34(13,14)15)35(16,17)18/h19-20,25-27H,1-18H3.
What are the key properties of [[3,5-bis[bis(trimethylsilyl)methyl]-2-sulfanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane?
[[3,5-bis[bis(trimethylsilyl)methyl]-2-sulfanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane has a molecular weight of 595.16 g/mol, XLogP of 9.64, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[3,5-bis[bis(trimethylsilyl)methyl]-2-sulfanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane is sourced from PubChem (CID 15335978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).