benzylsulfanyl-bromo-dimethylstannane

C9H13BrSSn — CID 71443949

IUPACbenzylsulfanyl-bromo-dimethylstannane
SMILESC[Sn](C)(Br)SCc1ccccc1
InChIInChI=1S/C7H8S.2CH3.BrH.Sn/c8-6-7-4-2-1-3-5-7;;;;/h1-5,8H,6H2;2*1H3;1H;/q;;;;+2/p-2
InChIKeyTWISXZPKNOOSMT-UHFFFAOYSA-L
MW351.89 g/mol
LogP4.02
Rot. Bonds3

About benzylsulfanyl-bromo-dimethylstannane

benzylsulfanyl-bromo-dimethylstannane (PubChem CID 71443949) has the molecular formula C9H13BrSSn and a molecular weight of 351.89 g/mol. Its IUPAC name is benzylsulfanyl-bromo-dimethylstannane.

Molecular Properties

Compound Namebenzylsulfanyl-bromo-dimethylstannane
PubChem CID71443949
Molecular FormulaC9H13BrSSn
Molecular Weight351.89 g/mol
Exact Mass351.89
IUPAC Namebenzylsulfanyl-bromo-dimethylstannane
SMILESC[Sn](C)(Br)SCc1ccccc1
InChIInChI=1S/C7H8S.2CH3.BrH.Sn/c8-6-7-4-2-1-3-5-7;;;;/h1-5,8H,6H2;2*1H3;1H;/q;;;;+2/p-2
InChIKeyTWISXZPKNOOSMT-UHFFFAOYSA-L
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.89
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;methane;methylsulfanylmethylbenzene
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benzylsulfanyl(trimethoxy)silane
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benzyl thiohypochlorite
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3-[3-(3-benzylsulfanylpropylsulfanyl)propylsulfanyl]propylsulfanylmethylbenzene
CID 15805005
carbon monoxide;chromium;methylsulfanylmethylbenzene
CID 11000241
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CID 66703910

Frequently Asked Questions

What is the IUPAC name of benzylsulfanyl-bromo-dimethylstannane?
The IUPAC name of benzylsulfanyl-bromo-dimethylstannane (CID 71443949) is benzylsulfanyl-bromo-dimethylstannane.
What is the SMILES notation for benzylsulfanyl-bromo-dimethylstannane?
The canonical SMILES for benzylsulfanyl-bromo-dimethylstannane is C[Sn](C)(Br)SCc1ccccc1.
What is the InChIKey of benzylsulfanyl-bromo-dimethylstannane?
The InChIKey is TWISXZPKNOOSMT-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H8S.2CH3.BrH.Sn/c8-6-7-4-2-1-3-5-7;;;;/h1-5,8H,6H2;2*1H3;1H;/q;;;;+2/p-2.
What are the key properties of benzylsulfanyl-bromo-dimethylstannane?
benzylsulfanyl-bromo-dimethylstannane has a molecular weight of 351.89 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzylsulfanyl-bromo-dimethylstannane is sourced from PubChem (CID 71443949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).