5-[5-[2-[3,3-dimethyl-5-[3-methyl-4-propylsulfanyl-2,6-bis(sulfanylidene)-3H-pyridin-1-yl]pentyl]sulfanylethylsulfanyl]-3,3-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione

C32H50N2S8 — CID 142135561

IUPAC5-[5-[2-[3,3-dimethyl-5-[3-methyl-4-propylsulfanyl-2,6-bis(sulfanylidene)-3H-pyridin-1-yl]pentyl]sulfanylethylsulfanyl]-3,3-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESCCCSC1=CC(=S)N(CCC(C)(C)CCSCCSCCC(C)(C)CCN2C(=S)C=C3SCCC3C2=S)C(=S)C1C
InChIInChI=1S/C32H50N2S8/c1-7-15-41-25-21-27(35)33(29(37)23(25)2)13-9-31(3,4)11-17-39-19-20-40-18-12-32(5,6)10-14-34-28(36)22-26-24(30(34)38)8-16-42-26/h21-24H,7-20H2,1-6H3
InChIKeyFONJGQMPHUHPOK-UHFFFAOYSA-N
MW719.30 g/mol
LogP10.31
Rot. Bonds18

About 5-[5-[2-[3,3-dimethyl-5-[3-methyl-4-propylsulfanyl-2,6-bis(sulfanylidene)-3H-pyridin-1-yl]pentyl]sulfanylethylsulfanyl]-3,3-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione

5-[5-[2-[3,3-dimethyl-5-[3-methyl-4-propylsulfanyl-2,6-bis(sulfanylidene)-3H-pyridin-1-yl]pentyl]sulfanylethylsulfanyl]-3,3-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (PubChem CID 142135561) has the molecular formula C32H50N2S8 and a molecular weight of 719.30 g/mol. Its IUPAC name is 5-[5-[2-[3,3-dimethyl-5-[3-methyl-4-propylsulfanyl-2,6-bis(sulfanylidene)-3H-pyridin-1-yl]pentyl]sulfanylethylsulfanyl]-3,3-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.

Molecular Properties

Compound Name5-[5-[2-[3,3-dimethyl-5-[3-methyl-4-propylsulfanyl-2,6-bis(sulfanylidene)-3H-pyridin-1-yl]pentyl]sulfanylethylsulfanyl]-3,3-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
PubChem CID142135561
Molecular FormulaC32H50N2S8
Molecular Weight719.30 g/mol
Exact Mass718.17
IUPAC Name5-[5-[2-[3,3-dimethyl-5-[3-methyl-4-propylsulfanyl-2,6-bis(sulfanylidene)-3H-pyridin-1-yl]pentyl]sulfanylethylsulfanyl]-3,3-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESCCCSC1=CC(=S)N(CCC(C)(C)CCSCCSCCC(C)(C)CCN2C(=S)C=C3SCCC3C2=S)C(=S)C1C
InChIInChI=1S/C32H50N2S8/c1-7-15-41-25-21-27(35)33(29(37)23(25)2)13-9-31(3,4)11-17-39-19-20-40-18-12-32(5,6)10-14-34-28(36)22-26-24(30(34)38)8-16-42-26/h21-24H,7-20H2,1-6H3
InChIKeyFONJGQMPHUHPOK-UHFFFAOYSA-N
XLogP10.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.30
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-[5-[2-[3,3-dimethyl-5-[3-methyl-4-propylsulfanyl-2,6-bis(sulfanylidene)-3H-pyridin-1-yl]pentyl]sulfanylethylsulfanyl]-3,3-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-[3,3-dimethyl-5-[3-methyl-4-propylsulfanyl-2,6-bis(sulfanylidene)-3H-pyridin-1-yl]pentyl]sulfanylethylsulfanyl]-3,3-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The IUPAC name of 5-[5-[2-[3,3-dimethyl-5-[3-methyl-4-propylsulfanyl-2,6-bis(sulfanylidene)-3H-pyridin-1-yl]pentyl]sulfanylethylsulfanyl]-3,3-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (CID 142135561) is 5-[5-[2-[3,3-dimethyl-5-[3-methyl-4-propylsulfanyl-2,6-bis(sulfanylidene)-3H-pyridin-1-yl]pentyl]sulfanylethylsulfanyl]-3,3-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.
What is the SMILES notation for 5-[5-[2-[3,3-dimethyl-5-[3-methyl-4-propylsulfanyl-2,6-bis(sulfanylidene)-3H-pyridin-1-yl]pentyl]sulfanylethylsulfanyl]-3,3-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The canonical SMILES for 5-[5-[2-[3,3-dimethyl-5-[3-methyl-4-propylsulfanyl-2,6-bis(sulfanylidene)-3H-pyridin-1-yl]pentyl]sulfanylethylsulfanyl]-3,3-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is CCCSC1=CC(=S)N(CCC(C)(C)CCSCCSCCC(C)(C)CCN2C(=S)C=C3SCCC3C2=S)C(=S)C1C.
What is the InChIKey of 5-[5-[2-[3,3-dimethyl-5-[3-methyl-4-propylsulfanyl-2,6-bis(sulfanylidene)-3H-pyridin-1-yl]pentyl]sulfanylethylsulfanyl]-3,3-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The InChIKey is FONJGQMPHUHPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50N2S8/c1-7-15-41-25-21-27(35)33(29(37)23(25)2)13-9-31(3,4)11-17-39-19-20-40-18-12-32(5,6)10-14-34-28(36)22-26-24(30(34)38)8-16-42-26/h21-24H,7-20H2,1-6H3.
What are the key properties of 5-[5-[2-[3,3-dimethyl-5-[3-methyl-4-propylsulfanyl-2,6-bis(sulfanylidene)-3H-pyridin-1-yl]pentyl]sulfanylethylsulfanyl]-3,3-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
5-[5-[2-[3,3-dimethyl-5-[3-methyl-4-propylsulfanyl-2,6-bis(sulfanylidene)-3H-pyridin-1-yl]pentyl]sulfanylethylsulfanyl]-3,3-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione has a molecular weight of 719.30 g/mol, XLogP of 10.31, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-[3,3-dimethyl-5-[3-methyl-4-propylsulfanyl-2,6-bis(sulfanylidene)-3H-pyridin-1-yl]pentyl]sulfanylethylsulfanyl]-3,3-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is sourced from PubChem (CID 142135561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).