4,7-dimethoxy-2,2-dimethyl-1,3,2-benzodithiastannole

C10H14O2S2Sn — CID 15186090

IUPAC4,7-dimethoxy-2,2-dimethyl-1,3,2-benzodithiastannole
SMILESCOc1ccc(OC)c2c1S[Sn](C)(C)S2
InChIInChI=1S/C8H10O2S2.2CH3.Sn/c1-9-5-3-4-6(10-2)8(12)7(5)11;;;/h3-4,11-12H,1-2H3;2*1H3;/q;;;+2/p-2
InChIKeyIUSLDJXWLUJVPY-UHFFFAOYSA-L
MW349.07 g/mol
LogP3.60
Rot. Bonds2

About 4,7-dimethoxy-2,2-dimethyl-1,3,2-benzodithiastannole

4,7-dimethoxy-2,2-dimethyl-1,3,2-benzodithiastannole (PubChem CID 15186090) has the molecular formula C10H14O2S2Sn and a molecular weight of 349.07 g/mol. Its IUPAC name is 4,7-dimethoxy-2,2-dimethyl-1,3,2-benzodithiastannole.

Molecular Properties

Compound Name4,7-dimethoxy-2,2-dimethyl-1,3,2-benzodithiastannole
PubChem CID15186090
Molecular FormulaC10H14O2S2Sn
Molecular Weight349.07 g/mol
Exact Mass349.95
IUPAC Name4,7-dimethoxy-2,2-dimethyl-1,3,2-benzodithiastannole
SMILESCOc1ccc(OC)c2c1S[Sn](C)(C)S2
InChIInChI=1S/C8H10O2S2.2CH3.Sn/c1-9-5-3-4-6(10-2)8(12)7(5)11;;;/h3-4,11-12H,1-2H3;2*1H3;/q;;;+2/p-2
InChIKeyIUSLDJXWLUJVPY-UHFFFAOYSA-L
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,7-dimethoxy-1,2,3-benzotrithiole
CID 14939760
1,4,5,8-tetramethoxynaphthalene
CID 10220551
(4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene
CID 53328080
2,5,8,11,20-pentamethoxyhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene
CID 102452050
bis(dichloromethane);1,4,5,8,9,12,13,16-octamethoxytetraphenylene
CID 139040001
4,7-dimethoxy-1,10-di(propan-2-yl)benzo[c][1,2,5,6]benzotetrathiocine
CID 102239647
2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5,8-dimethoxy-[1,3]dithiolo[4,5-b][1,4]benzodithiine
CID 10672794
2-methoxy-7-thiabicyclo[4.1.0]hepta-1,3,5-triene
CID 172854405
1,5-diiodo-4,8-dimethoxynaphthalene
CID 11236006
3-methoxy-2-(3-methoxythiophen-2-yl)thiophene
CID 10609306
2,3-diiodo-1,4-dimethoxybenzene
CID 11653980
4-methoxy-3-methylbenzenesulfinate
CID 23442728

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-2,2-dimethyl-1,3,2-benzodithiastannole?
The IUPAC name of 4,7-dimethoxy-2,2-dimethyl-1,3,2-benzodithiastannole (CID 15186090) is 4,7-dimethoxy-2,2-dimethyl-1,3,2-benzodithiastannole.
What is the SMILES notation for 4,7-dimethoxy-2,2-dimethyl-1,3,2-benzodithiastannole?
The canonical SMILES for 4,7-dimethoxy-2,2-dimethyl-1,3,2-benzodithiastannole is COc1ccc(OC)c2c1S[Sn](C)(C)S2.
What is the InChIKey of 4,7-dimethoxy-2,2-dimethyl-1,3,2-benzodithiastannole?
The InChIKey is IUSLDJXWLUJVPY-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H10O2S2.2CH3.Sn/c1-9-5-3-4-6(10-2)8(12)7(5)11;;;/h3-4,11-12H,1-2H3;2*1H3;/q;;;+2/p-2.
What are the key properties of 4,7-dimethoxy-2,2-dimethyl-1,3,2-benzodithiastannole?
4,7-dimethoxy-2,2-dimethyl-1,3,2-benzodithiastannole has a molecular weight of 349.07 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-2,2-dimethyl-1,3,2-benzodithiastannole is sourced from PubChem (CID 15186090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).