5-tert-butyl-2-propan-2-ylthieno[3,2-b]thiophene;2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;2,5-ditert-butylthieno[2,3-d][1,3]thiazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide

C87H131N3O2S9 — CID 158331808

IUPAC5-tert-butyl-2-propan-2-ylthieno[3,2-b]thiophene;2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;2,5-ditert-butylthieno[2,3-d][1,3]thiazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide
SMILESCC(C)(C)C1=Nc2sc(C(C)(C)C)cc2C1.CC(C)(C)c1cc2sc(C(C)(C)C)nc2s1.CC(C)C1=CCC(C(C)C)CC1.CC(C)c1cc2c(s1)CN(C(C)C)S2(=O)=O.CC(C)c1cc2cc(C(C)C)sc2s1.CC(C)c1cc2sc(C(C)(C)C)cc2s1.CC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H21NS.C13H19NS2.C13H18S2.C12H16S2.C12H22.C12H18.C11H17NO2S2/c1-13(2,3)10-7-9-8-11(14(4,5)6)16-12(9)15-10;1-12(2,3)9-7-8-10(16-9)14-11(15-8)13(4,5)6;1-8(2)9-6-10-11(14-9)7-12(15-10)13(3,4)5;1-7(2)10-5-9-6-11(8(3)4)14-12(9)13-10;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-11-10(15-9)6-12(8(3)4)16(11,13)14/h8H,7H2,1-6H3;7H,1-6H3;6-8H,1-5H3;5-8H,1-4H3;5,9-10,12H,6-8H2,1-4H3;5-10H,1-4H3;5,7-8H,6H2,1-4H3
InChIKeyGQCIYTDYYSDODJ-UHFFFAOYSA-N
MW1539.63 g/mol
LogP31.01
Rot. Bonds9

About 5-tert-butyl-2-propan-2-ylthieno[3,2-b]thiophene;2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;2,5-ditert-butylthieno[2,3-d][1,3]thiazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide

5-tert-butyl-2-propan-2-ylthieno[3,2-b]thiophene;2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;2,5-ditert-butylthieno[2,3-d][1,3]thiazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide (PubChem CID 158331808) has the molecular formula C87H131N3O2S9 and a molecular weight of 1539.63 g/mol. Its IUPAC name is 5-tert-butyl-2-propan-2-ylthieno[3,2-b]thiophene;2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;2,5-ditert-butylthieno[2,3-d][1,3]thiazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide.

Molecular Properties

Compound Name5-tert-butyl-2-propan-2-ylthieno[3,2-b]thiophene;2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;2,5-ditert-butylthieno[2,3-d][1,3]thiazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide
PubChem CID158331808
Molecular FormulaC87H131N3O2S9
Molecular Weight1539.63 g/mol
Exact Mass1537.77
IUPAC Name5-tert-butyl-2-propan-2-ylthieno[3,2-b]thiophene;2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;2,5-ditert-butylthieno[2,3-d][1,3]thiazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide
SMILESCC(C)(C)C1=Nc2sc(C(C)(C)C)cc2C1.CC(C)(C)c1cc2sc(C(C)(C)C)nc2s1.CC(C)C1=CCC(C(C)C)CC1.CC(C)c1cc2c(s1)CN(C(C)C)S2(=O)=O.CC(C)c1cc2cc(C(C)C)sc2s1.CC(C)c1cc2sc(C(C)(C)C)cc2s1.CC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H21NS.C13H19NS2.C13H18S2.C12H16S2.C12H22.C12H18.C11H17NO2S2/c1-13(2,3)10-7-9-8-11(14(4,5)6)16-12(9)15-10;1-12(2,3)9-7-8-10(16-9)14-11(15-8)13(4,5)6;1-8(2)9-6-10-11(14-9)7-12(15-10)13(3,4)5;1-7(2)10-5-9-6-11(8(3)4)14-12(9)13-10;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-11-10(15-9)6-12(8(3)4)16(11,13)14/h8H,7H2,1-6H3;7H,1-6H3;6-8H,1-5H3;5-8H,1-4H3;5,9-10,12H,6-8H2,1-4H3;5-10H,1-4H3;5,7-8H,6H2,1-4H3
InChIKeyGQCIYTDYYSDODJ-UHFFFAOYSA-N
XLogP31.01
TPSA62.63 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001539.63
LogP ≤ 531.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-tert-butyl-2-propan-2-ylthieno[3,2-b]thiophene;2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;2,5-ditert-butylthieno[2,3-d][1,3]thiazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide with MolForge

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Related Compounds

2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)-4H-cyclopenta[b]thiophene;2,5-di(propan-2-yl)furo[2,3-b]furan;3,7-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d][1,3]oxazole;2,5-di(propan-2-yl)-[1,3]oxazolo[5,4-d][1,3]oxazole;2,6-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d][1,3]thiazole;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thieno[2,3-d][1,3]thiazole;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide
CID 159971129
2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide
CID 90310288
2-propan-2-yl-1-benzothiophene-5-carboxylic acid
CID 84685866
5-[4-methyl-4-(5-propan-2-yl-1-benzothiophen-2-yl)pentan-2-yl]-2-propan-2-ylthieno[2,3-b]pyridine
CID 170184963
methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine
CID 159354677
2-tert-butyl-6-propan-2-yl-4-(trifluoromethyl)-1,3-benzothiazole
CID 134415209
(2R)-2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 177260649
3,6-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline
CID 82113977
2-(4-propan-2-ylphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one
CID 95474560
2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 115788325
1-(1-benzothiophen-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 114909795
5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene
CID 58371719

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-propan-2-ylthieno[3,2-b]thiophene;2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;2,5-ditert-butylthieno[2,3-d][1,3]thiazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide?
The IUPAC name of 5-tert-butyl-2-propan-2-ylthieno[3,2-b]thiophene;2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;2,5-ditert-butylthieno[2,3-d][1,3]thiazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide (CID 158331808) is 5-tert-butyl-2-propan-2-ylthieno[3,2-b]thiophene;2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;2,5-ditert-butylthieno[2,3-d][1,3]thiazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide.
What is the SMILES notation for 5-tert-butyl-2-propan-2-ylthieno[3,2-b]thiophene;2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;2,5-ditert-butylthieno[2,3-d][1,3]thiazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide?
The canonical SMILES for 5-tert-butyl-2-propan-2-ylthieno[3,2-b]thiophene;2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;2,5-ditert-butylthieno[2,3-d][1,3]thiazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide is CC(C)(C)C1=Nc2sc(C(C)(C)C)cc2C1.CC(C)(C)c1cc2sc(C(C)(C)C)nc2s1.CC(C)C1=CCC(C(C)C)CC1.CC(C)c1cc2c(s1)CN(C(C)C)S2(=O)=O.CC(C)c1cc2cc(C(C)C)sc2s1.CC(C)c1cc2sc(C(C)(C)C)cc2s1.CC(C)c1ccc(C(C)C)cc1.
What is the InChIKey of 5-tert-butyl-2-propan-2-ylthieno[3,2-b]thiophene;2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;2,5-ditert-butylthieno[2,3-d][1,3]thiazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide?
The InChIKey is GQCIYTDYYSDODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS.C13H19NS2.C13H18S2.C12H16S2.C12H22.C12H18.C11H17NO2S2/c1-13(2,3)10-7-9-8-11(14(4,5)6)16-12(9)15-10;1-12(2,3)9-7-8-10(16-9)14-11(15-8)13(4,5)6;1-8(2)9-6-10-11(14-9)7-12(15-10)13(3,4)5;1-7(2)10-5-9-6-11(8(3)4)14-12(9)13-10;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-11-10(15-9)6-12(8(3)4)16(11,13)14/h8H,7H2,1-6H3;7H,1-6H3;6-8H,1-5H3;5-8H,1-4H3;5,9-10,12H,6-8H2,1-4H3;5-10H,1-4H3;5,7-8H,6H2,1-4H3.
What are the key properties of 5-tert-butyl-2-propan-2-ylthieno[3,2-b]thiophene;2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;2,5-ditert-butylthieno[2,3-d][1,3]thiazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide?
5-tert-butyl-2-propan-2-ylthieno[3,2-b]thiophene;2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;2,5-ditert-butylthieno[2,3-d][1,3]thiazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide has a molecular weight of 1539.63 g/mol, XLogP of 31.01, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-propan-2-ylthieno[3,2-b]thiophene;2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;2,5-ditert-butylthieno[2,3-d][1,3]thiazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide is sourced from PubChem (CID 158331808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).