2,2'-spirobi[1,3,2-benzodithiastannole]

C12H8S4Sn — CID 16687541

IUPAC2,2'-spirobi[1,3,2-benzodithiastannole]
SMILESc1ccc2c(c1)S[Sn]1(S2)Sc2ccccc2S1
InChIInChI=1S/2C6H6S2.Sn/c2*7-5-3-1-2-4-6(5)8;/h2*1-4,7-8H;/q;;+4/p-4
InChIKeyRWNWDXJUYVFOOM-UHFFFAOYSA-J
MW399.18 g/mol
LogP5.22
Rot. Bonds

About 2,2'-spirobi[1,3,2-benzodithiastannole]

2,2'-spirobi[1,3,2-benzodithiastannole] (PubChem CID 16687541) has the molecular formula C12H8S4Sn and a molecular weight of 399.18 g/mol. Its IUPAC name is 2,2'-spirobi[1,3,2-benzodithiastannole].

Molecular Properties

Compound Name2,2'-spirobi[1,3,2-benzodithiastannole]
PubChem CID16687541
Molecular FormulaC12H8S4Sn
Molecular Weight399.18 g/mol
Exact Mass399.85
IUPAC Name2,2'-spirobi[1,3,2-benzodithiastannole]
SMILESc1ccc2c(c1)S[Sn]1(S2)Sc2ccccc2S1
InChIInChI=1S/2C6H6S2.Sn/c2*7-5-3-1-2-4-6(5)8;/h2*1-4,7-8H;/q;;+4/p-4
InChIKeyRWNWDXJUYVFOOM-UHFFFAOYSA-J
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.18
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2'-spirobi[1,3,2-benzodithiastannole]?
The IUPAC name of 2,2'-spirobi[1,3,2-benzodithiastannole] (CID 16687541) is 2,2'-spirobi[1,3,2-benzodithiastannole].
What is the SMILES notation for 2,2'-spirobi[1,3,2-benzodithiastannole]?
The canonical SMILES for 2,2'-spirobi[1,3,2-benzodithiastannole] is c1ccc2c(c1)S[Sn]1(S2)Sc2ccccc2S1.
What is the InChIKey of 2,2'-spirobi[1,3,2-benzodithiastannole]?
The InChIKey is RWNWDXJUYVFOOM-UHFFFAOYSA-J. The full InChI is InChI=1S/2C6H6S2.Sn/c2*7-5-3-1-2-4-6(5)8;/h2*1-4,7-8H;/q;;+4/p-4.
What are the key properties of 2,2'-spirobi[1,3,2-benzodithiastannole]?
2,2'-spirobi[1,3,2-benzodithiastannole] has a molecular weight of 399.18 g/mol, XLogP of 5.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2'-spirobi[1,3,2-benzodithiastannole] is sourced from PubChem (CID 16687541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).