5,5'-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2,2'-spirobi[[1,3]dithiolo[4,5-d][1,3,2]dithiagermole]

C16H12GeS16 — CID 16708972

IUPAC5,5'-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2,2'-spirobi[[1,3]dithiolo[4,5-d][1,3,2]dithiagermole]
SMILESCSC1=C(SC)SC(=C2SC3=C(S2)S[Ge]2(S3)SC3=C(SC(=C4SC(SC)=C(SC)S4)S3)S2)S1
InChIInChI=1S/C16H12GeS16/c1-18-5-6(19-2)23-9(22-5)11-26-13-14(27-11)31-17(30-13)32-15-16(33-17)29-12(28-15)10-24-7(20-3)8(21-4)25-10/h1-4H3
InChIKeyIWMDZRGAGQQRGV-UHFFFAOYSA-N
MW789.95 g/mol
LogP12.51
Rot. Bonds4

About 5,5'-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2,2'-spirobi[[1,3]dithiolo[4,5-d][1,3,2]dithiagermole]

5,5'-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2,2'-spirobi[[1,3]dithiolo[4,5-d][1,3,2]dithiagermole] (PubChem CID 16708972) has the molecular formula C16H12GeS16 and a molecular weight of 789.95 g/mol. Its IUPAC name is 5,5'-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2,2'-spirobi[[1,3]dithiolo[4,5-d][1,3,2]dithiagermole].

Molecular Properties

Compound Name5,5'-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2,2'-spirobi[[1,3]dithiolo[4,5-d][1,3,2]dithiagermole]
PubChem CID16708972
Molecular FormulaC16H12GeS16
Molecular Weight789.95 g/mol
Exact Mass789.57
IUPAC Name5,5'-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2,2'-spirobi[[1,3]dithiolo[4,5-d][1,3,2]dithiagermole]
SMILESCSC1=C(SC)SC(=C2SC3=C(S2)S[Ge]2(S3)SC3=C(SC(=C4SC(SC)=C(SC)S4)S3)S2)S1
InChIInChI=1S/C16H12GeS16/c1-18-5-6(19-2)23-9(22-5)11-26-13-14(27-11)31-17(30-13)32-15-16(33-17)29-12(28-15)10-24-7(20-3)8(21-4)25-10/h1-4H3
InChIKeyIWMDZRGAGQQRGV-UHFFFAOYSA-N
XLogP12.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500789.95
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 5,5'-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2,2'-spirobi[[1,3]dithiolo[4,5-d][1,3,2]dithiagermole] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,5'-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2,2'-spirobi[[1,3]dithiolo[4,5-d][1,3,2]dithiagermole]?
The IUPAC name of 5,5'-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2,2'-spirobi[[1,3]dithiolo[4,5-d][1,3,2]dithiagermole] (CID 16708972) is 5,5'-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2,2'-spirobi[[1,3]dithiolo[4,5-d][1,3,2]dithiagermole].
What is the SMILES notation for 5,5'-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2,2'-spirobi[[1,3]dithiolo[4,5-d][1,3,2]dithiagermole]?
The canonical SMILES for 5,5'-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2,2'-spirobi[[1,3]dithiolo[4,5-d][1,3,2]dithiagermole] is CSC1=C(SC)SC(=C2SC3=C(S2)S[Ge]2(S3)SC3=C(SC(=C4SC(SC)=C(SC)S4)S3)S2)S1.
What is the InChIKey of 5,5'-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2,2'-spirobi[[1,3]dithiolo[4,5-d][1,3,2]dithiagermole]?
The InChIKey is IWMDZRGAGQQRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12GeS16/c1-18-5-6(19-2)23-9(22-5)11-26-13-14(27-11)31-17(30-13)32-15-16(33-17)29-12(28-15)10-24-7(20-3)8(21-4)25-10/h1-4H3.
What are the key properties of 5,5'-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2,2'-spirobi[[1,3]dithiolo[4,5-d][1,3,2]dithiagermole]?
5,5'-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2,2'-spirobi[[1,3]dithiolo[4,5-d][1,3,2]dithiagermole] has a molecular weight of 789.95 g/mol, XLogP of 12.51, 4 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5'-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2,2'-spirobi[[1,3]dithiolo[4,5-d][1,3,2]dithiagermole] is sourced from PubChem (CID 16708972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).