2,2-dimethyl-1,3,2-benzodithiastannole

C8H10S2Sn — CID 15187126

IUPAC2,2-dimethyl-1,3,2-benzodithiastannole
SMILESC[Sn]1(C)Sc2ccccc2S1
InChIInChI=1S/C6H6S2.2CH3.Sn/c7-5-3-1-2-4-6(5)8;;;/h1-4,7-8H;2*1H3;/q;;;+2/p-2
InChIKeyQJLRENZOZKLWLD-UHFFFAOYSA-L
MW289.01 g/mol
LogP3.59
Rot. Bonds

About 2,2-dimethyl-1,3,2-benzodithiastannole

2,2-dimethyl-1,3,2-benzodithiastannole (PubChem CID 15187126) has the molecular formula C8H10S2Sn and a molecular weight of 289.01 g/mol. Its IUPAC name is 2,2-dimethyl-1,3,2-benzodithiastannole.

Molecular Properties

Compound Name2,2-dimethyl-1,3,2-benzodithiastannole
PubChem CID15187126
Molecular FormulaC8H10S2Sn
Molecular Weight289.01 g/mol
Exact Mass289.92
IUPAC Name2,2-dimethyl-1,3,2-benzodithiastannole
SMILESC[Sn]1(C)Sc2ccccc2S1
InChIInChI=1S/C6H6S2.2CH3.Sn/c7-5-3-1-2-4-6(5)8;;;/h1-4,7-8H;2*1H3;/q;;;+2/p-2
InChIKeyQJLRENZOZKLWLD-UHFFFAOYSA-L
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.01
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3,2-benzodithiastannole?
The IUPAC name of 2,2-dimethyl-1,3,2-benzodithiastannole (CID 15187126) is 2,2-dimethyl-1,3,2-benzodithiastannole.
What is the SMILES notation for 2,2-dimethyl-1,3,2-benzodithiastannole?
The canonical SMILES for 2,2-dimethyl-1,3,2-benzodithiastannole is C[Sn]1(C)Sc2ccccc2S1.
What is the InChIKey of 2,2-dimethyl-1,3,2-benzodithiastannole?
The InChIKey is QJLRENZOZKLWLD-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H6S2.2CH3.Sn/c7-5-3-1-2-4-6(5)8;;;/h1-4,7-8H;2*1H3;/q;;;+2/p-2.
What are the key properties of 2,2-dimethyl-1,3,2-benzodithiastannole?
2,2-dimethyl-1,3,2-benzodithiastannole has a molecular weight of 289.01 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3,2-benzodithiastannole is sourced from PubChem (CID 15187126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).