5-[2-methyl-5-[4-methyl-4-(4-methylidene-6-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl)pentyl]sulfanylpentan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione

C27H38N2S6 — CID 143079986

IUPAC5-[2-methyl-5-[4-methyl-4-(4-methylidene-6-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl)pentyl]sulfanylpentan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESC=C1C2CCSC2=CC(=S)N1C(C)(C)CCCSCCCC(C)(C)N1C(=S)C=C2SCCC2C1=S
InChIInChI=1S/C27H38N2S6/c1-18-19-8-14-34-21(19)16-23(30)28(18)26(2,3)10-6-12-33-13-7-11-27(4,5)29-24(31)17-22-20(25(29)32)9-15-35-22/h16-17,19-20H,1,6-15H2,2-5H3
InChIKeyJYGXCLRBIVKDRO-UHFFFAOYSA-N
MW583.02 g/mol
LogP8.24
Rot. Bonds10

About 5-[2-methyl-5-[4-methyl-4-(4-methylidene-6-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl)pentyl]sulfanylpentan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione

5-[2-methyl-5-[4-methyl-4-(4-methylidene-6-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl)pentyl]sulfanylpentan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (PubChem CID 143079986) has the molecular formula C27H38N2S6 and a molecular weight of 583.02 g/mol. Its IUPAC name is 5-[2-methyl-5-[4-methyl-4-(4-methylidene-6-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl)pentyl]sulfanylpentan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.

Molecular Properties

Compound Name5-[2-methyl-5-[4-methyl-4-(4-methylidene-6-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl)pentyl]sulfanylpentan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
PubChem CID143079986
Molecular FormulaC27H38N2S6
Molecular Weight583.02 g/mol
Exact Mass582.14
IUPAC Name5-[2-methyl-5-[4-methyl-4-(4-methylidene-6-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl)pentyl]sulfanylpentan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESC=C1C2CCSC2=CC(=S)N1C(C)(C)CCCSCCCC(C)(C)N1C(=S)C=C2SCCC2C1=S
InChIInChI=1S/C27H38N2S6/c1-18-19-8-14-34-21(19)16-23(30)28(18)26(2,3)10-6-12-33-13-7-11-27(4,5)29-24(31)17-22-20(25(29)32)9-15-35-22/h16-17,19-20H,1,6-15H2,2-5H3
InChIKeyJYGXCLRBIVKDRO-UHFFFAOYSA-N
XLogP8.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.02
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-methyl-5-[4-methyl-4-(4-methylidene-6-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl)pentyl]sulfanylpentan-2-yl]-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-[2-methyl-5-[4-methyl-4-(4-methylidene-6-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl)pentyl]sulfanylpentan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The IUPAC name of 5-[2-methyl-5-[4-methyl-4-(4-methylidene-6-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl)pentyl]sulfanylpentan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (CID 143079986) is 5-[2-methyl-5-[4-methyl-4-(4-methylidene-6-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl)pentyl]sulfanylpentan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.
What is the SMILES notation for 5-[2-methyl-5-[4-methyl-4-(4-methylidene-6-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl)pentyl]sulfanylpentan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The canonical SMILES for 5-[2-methyl-5-[4-methyl-4-(4-methylidene-6-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl)pentyl]sulfanylpentan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is C=C1C2CCSC2=CC(=S)N1C(C)(C)CCCSCCCC(C)(C)N1C(=S)C=C2SCCC2C1=S.
What is the InChIKey of 5-[2-methyl-5-[4-methyl-4-(4-methylidene-6-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl)pentyl]sulfanylpentan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The InChIKey is JYGXCLRBIVKDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2S6/c1-18-19-8-14-34-21(19)16-23(30)28(18)26(2,3)10-6-12-33-13-7-11-27(4,5)29-24(31)17-22-20(25(29)32)9-15-35-22/h16-17,19-20H,1,6-15H2,2-5H3.
What are the key properties of 5-[2-methyl-5-[4-methyl-4-(4-methylidene-6-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl)pentyl]sulfanylpentan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
5-[2-methyl-5-[4-methyl-4-(4-methylidene-6-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl)pentyl]sulfanylpentan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione has a molecular weight of 583.02 g/mol, XLogP of 8.24, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-5-[4-methyl-4-(4-methylidene-6-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl)pentyl]sulfanylpentan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is sourced from PubChem (CID 143079986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).