2,2-dimethyl-1,3,2-dithiastanninane

C5H12S2Sn — CID 12668662

IUPAC2,2-dimethyl-1,3,2-dithiastanninane
SMILESC[Sn]1(C)SCCCS1
InChIInChI=1S/C3H8S2.2CH3.Sn/c4-2-1-3-5;;;/h4-5H,1-3H2;2*1H3;/q;;;+2/p-2
InChIKeyIKBUYNPWDXCMGT-UHFFFAOYSA-L
MW255.00 g/mol
LogP2.56
Rot. Bonds

About 2,2-dimethyl-1,3,2-dithiastanninane

2,2-dimethyl-1,3,2-dithiastanninane (PubChem CID 12668662) has the molecular formula C5H12S2Sn and a molecular weight of 255.00 g/mol. Its IUPAC name is 2,2-dimethyl-1,3,2-dithiastanninane.

Molecular Properties

Compound Name2,2-dimethyl-1,3,2-dithiastanninane
PubChem CID12668662
Molecular FormulaC5H12S2Sn
Molecular Weight255.00 g/mol
Exact Mass255.94
IUPAC Name2,2-dimethyl-1,3,2-dithiastanninane
SMILESC[Sn]1(C)SCCCS1
InChIInChI=1S/C3H8S2.2CH3.Sn/c4-2-1-3-5;;;/h4-5H,1-3H2;2*1H3;/q;;;+2/p-2
InChIKeyIKBUYNPWDXCMGT-UHFFFAOYSA-L
XLogP2.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.00
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-1,3,2-dithiastanninane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3,2-dithiastanninane?
The IUPAC name of 2,2-dimethyl-1,3,2-dithiastanninane (CID 12668662) is 2,2-dimethyl-1,3,2-dithiastanninane.
What is the SMILES notation for 2,2-dimethyl-1,3,2-dithiastanninane?
The canonical SMILES for 2,2-dimethyl-1,3,2-dithiastanninane is C[Sn]1(C)SCCCS1.
What is the InChIKey of 2,2-dimethyl-1,3,2-dithiastanninane?
The InChIKey is IKBUYNPWDXCMGT-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H8S2.2CH3.Sn/c4-2-1-3-5;;;/h4-5H,1-3H2;2*1H3;/q;;;+2/p-2.
What are the key properties of 2,2-dimethyl-1,3,2-dithiastanninane?
2,2-dimethyl-1,3,2-dithiastanninane has a molecular weight of 255.00 g/mol, XLogP of 2.56, 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-dithiastanninane is sourced from PubChem (CID 12668662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).