propane;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;4-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene

C84H120S6 — CID 159654553

IUPACpropane;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;4-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene
SMILESCC(C)c1cc2ccccc2s1.CC(C)c1ccc2ccsc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1cccc2ccsc12.CC(C)c1cccc2sccc12.CC(C)c1csc2ccccc12.CCC.CCC.CCC.CCC.CCC.CCC
InChIInChI=1S/6C11H12S.6C3H8/c1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;6*1-3-2/h6*3-8H,1-2H3;6*3H2,1-2H3
InChIKeyMRZWOSAZEQFLNU-UHFFFAOYSA-N
MW1322.29 g/mol
LogP32.65
Rot. Bonds6

About propane;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;4-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene

propane;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;4-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene (PubChem CID 159654553) has the molecular formula C84H120S6 and a molecular weight of 1322.29 g/mol. Its IUPAC name is propane;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;4-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene.

Molecular Properties

Compound Namepropane;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;4-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene
PubChem CID159654553
Molecular FormulaC84H120S6
Molecular Weight1322.29 g/mol
Exact Mass1320.77
IUPAC Namepropane;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;4-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene
SMILESCC(C)c1cc2ccccc2s1.CC(C)c1ccc2ccsc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1cccc2ccsc12.CC(C)c1cccc2sccc12.CC(C)c1csc2ccccc12.CCC.CCC.CCC.CCC.CCC.CCC
InChIInChI=1S/6C11H12S.6C3H8/c1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;6*1-3-2/h6*3-8H,1-2H3;6*3H2,1-2H3
InChIKeyMRZWOSAZEQFLNU-UHFFFAOYSA-N
XLogP32.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001322.29
LogP ≤ 532.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze propane;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;4-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene with MolForge

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Related Compounds

2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene
CID 157296421
2-propan-2-ylthieno[3,2-f][1]benzothiole
CID 138612702
1-benzothiophen-3-yl(1-benzothiophen-7-yl)methanamine
CID 105021781
1-benzothiophene;thieno[2,3-e][1]benzothiole
CID 158748847
[1-benzothiophen-2-yl(1-benzothiophen-7-yl)methyl]hydrazine
CID 105327686
1-benzofuran;5-phenyl-1-benzofuran;4-phenyl-1-benzothiophene;5-phenyl-1-benzothiophene;6-phenyl-1-benzothiophene;4-phenyl-6-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene
CID 167681265
9-propan-2-ylnaphtho[2,1-b][1]benzothiole
CID 71126581
8-propan-2-ylnaphtho[1,2-b][1]benzothiole
CID 158779749
1-benzothiophen-7-yl(naphthalen-2-yl)methanamine
CID 81129802
2,7-di(propan-2-yl)-1-benzothiophene
CID 176624114
2-[bromo-(4-propan-2-ylphenyl)methyl]-1-benzothiophene
CID 63443757
benzo[e][1]benzothiole;benzo[f][1]benzothiole;bis(benzo[g][1]benzothiole);1-benzothiophene;bis(dibenzothiophene);4,6-diphenyldibenzothiophene;ethane;naphtho[1,2-b][1]benzothiole;12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 158948770

Frequently Asked Questions

What is the IUPAC name of propane;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;4-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene?
The IUPAC name of propane;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;4-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene (CID 159654553) is propane;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;4-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene.
What is the SMILES notation for propane;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;4-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene?
The canonical SMILES for propane;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;4-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene is CC(C)c1cc2ccccc2s1.CC(C)c1ccc2ccsc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1cccc2ccsc12.CC(C)c1cccc2sccc12.CC(C)c1csc2ccccc12.CCC.CCC.CCC.CCC.CCC.CCC.
What is the InChIKey of propane;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;4-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene?
The InChIKey is MRZWOSAZEQFLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/6C11H12S.6C3H8/c1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;6*1-3-2/h6*3-8H,1-2H3;6*3H2,1-2H3.
What are the key properties of propane;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;4-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene?
propane;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;4-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene has a molecular weight of 1322.29 g/mol, XLogP of 32.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propane;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;4-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene is sourced from PubChem (CID 159654553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).