1-methyl-3-propan-2-yldibenzothiophene;1-methyl-4-propan-2-yldibenzothiophene;1-methyl-6-propan-2-yldibenzothiophene;1-methyl-7-propan-2-yldibenzothiophene;1-methyl-8-propan-2-yldibenzothiophene;1-methyl-9-propan-2-yldibenzothiophene;2-methyl-4-propan-2-yldibenzothiophene;3-methyl-1-propan-2-yldibenzothiophene;4-methyl-1-propan-2-yldibenzothiophene;4-methyl-2-propan-2-yldibenzothiophene

C160H160S10 — CID 163503597

IUPAC1-methyl-3-propan-2-yldibenzothiophene;1-methyl-4-propan-2-yldibenzothiophene;1-methyl-6-propan-2-yldibenzothiophene;1-methyl-7-propan-2-yldibenzothiophene;1-methyl-8-propan-2-yldibenzothiophene;1-methyl-9-propan-2-yldibenzothiophene;2-methyl-4-propan-2-yldibenzothiophene;3-methyl-1-propan-2-yldibenzothiophene;4-methyl-1-propan-2-yldibenzothiophene;4-methyl-2-propan-2-yldibenzothiophene
SMILESCc1cc(C(C)C)c2c(c1)sc1ccccc12.Cc1cc(C(C)C)c2sc3ccccc3c2c1.Cc1cc(C(C)C)cc2c1sc1ccccc12.Cc1cc(C(C)C)cc2sc3ccccc3c12.Cc1ccc(C(C)C)c2c1sc1ccccc12.Cc1ccc(C(C)C)c2sc3ccccc3c12.Cc1cccc2sc3c(C(C)C)cccc3c12.Cc1cccc2sc3cc(C(C)C)ccc3c12.Cc1cccc2sc3ccc(C(C)C)cc3c12.Cc1cccc2sc3cccc(C(C)C)c3c12
InChIInChI=1S/10C16H16S/c1-10(2)12-7-5-8-13-15-11(3)6-4-9-14(15)17-16(12)13;1-10(2)12-7-5-9-14-16(12)15-11(3)6-4-8-13(15)17-14;1-10(2)12-7-8-14-13(9-12)16-11(3)5-4-6-15(16)17-14;1-10(2)12-7-8-13-15(9-12)17-14-6-4-5-11(3)16(13)14;1-10(2)12-8-11(3)16-14(9-12)13-6-4-5-7-15(13)17-16;1-10(2)12-8-11(3)16-13-6-4-5-7-14(13)17-15(16)9-12;1-10(2)13-8-11(3)9-14-12-6-4-5-7-15(12)17-16(13)14;1-10(2)13-8-11(3)9-15-16(13)12-6-4-5-7-14(12)17-15;1-10(2)12-9-8-11(3)16-15(12)13-6-4-5-7-14(13)17-16;1-10(2)12-9-8-11(3)15-13-6-4-5-7-14(13)17-16(12)15/h10*4-10H,1-3H3
InChIKeyCWTICLKTPCOHLQ-UHFFFAOYSA-N
MW2403.71 g/mol
LogP54.86
Rot. Bonds10

About 1-methyl-3-propan-2-yldibenzothiophene;1-methyl-4-propan-2-yldibenzothiophene;1-methyl-6-propan-2-yldibenzothiophene;1-methyl-7-propan-2-yldibenzothiophene;1-methyl-8-propan-2-yldibenzothiophene;1-methyl-9-propan-2-yldibenzothiophene;2-methyl-4-propan-2-yldibenzothiophene;3-methyl-1-propan-2-yldibenzothiophene;4-methyl-1-propan-2-yldibenzothiophene;4-methyl-2-propan-2-yldibenzothiophene

1-methyl-3-propan-2-yldibenzothiophene;1-methyl-4-propan-2-yldibenzothiophene;1-methyl-6-propan-2-yldibenzothiophene;1-methyl-7-propan-2-yldibenzothiophene;1-methyl-8-propan-2-yldibenzothiophene;1-methyl-9-propan-2-yldibenzothiophene;2-methyl-4-propan-2-yldibenzothiophene;3-methyl-1-propan-2-yldibenzothiophene;4-methyl-1-propan-2-yldibenzothiophene;4-methyl-2-propan-2-yldibenzothiophene (PubChem CID 163503597) has the molecular formula C160H160S10 and a molecular weight of 2403.71 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yldibenzothiophene;1-methyl-4-propan-2-yldibenzothiophene;1-methyl-6-propan-2-yldibenzothiophene;1-methyl-7-propan-2-yldibenzothiophene;1-methyl-8-propan-2-yldibenzothiophene;1-methyl-9-propan-2-yldibenzothiophene;2-methyl-4-propan-2-yldibenzothiophene;3-methyl-1-propan-2-yldibenzothiophene;4-methyl-1-propan-2-yldibenzothiophene;4-methyl-2-propan-2-yldibenzothiophene.

Molecular Properties

Compound Name1-methyl-3-propan-2-yldibenzothiophene;1-methyl-4-propan-2-yldibenzothiophene;1-methyl-6-propan-2-yldibenzothiophene;1-methyl-7-propan-2-yldibenzothiophene;1-methyl-8-propan-2-yldibenzothiophene;1-methyl-9-propan-2-yldibenzothiophene;2-methyl-4-propan-2-yldibenzothiophene;3-methyl-1-propan-2-yldibenzothiophene;4-methyl-1-propan-2-yldibenzothiophene;4-methyl-2-propan-2-yldibenzothiophene
PubChem CID163503597
Molecular FormulaC160H160S10
Molecular Weight2403.71 g/mol
Exact Mass2400.97
IUPAC Name1-methyl-3-propan-2-yldibenzothiophene;1-methyl-4-propan-2-yldibenzothiophene;1-methyl-6-propan-2-yldibenzothiophene;1-methyl-7-propan-2-yldibenzothiophene;1-methyl-8-propan-2-yldibenzothiophene;1-methyl-9-propan-2-yldibenzothiophene;2-methyl-4-propan-2-yldibenzothiophene;3-methyl-1-propan-2-yldibenzothiophene;4-methyl-1-propan-2-yldibenzothiophene;4-methyl-2-propan-2-yldibenzothiophene
SMILESCc1cc(C(C)C)c2c(c1)sc1ccccc12.Cc1cc(C(C)C)c2sc3ccccc3c2c1.Cc1cc(C(C)C)cc2c1sc1ccccc12.Cc1cc(C(C)C)cc2sc3ccccc3c12.Cc1ccc(C(C)C)c2c1sc1ccccc12.Cc1ccc(C(C)C)c2sc3ccccc3c12.Cc1cccc2sc3c(C(C)C)cccc3c12.Cc1cccc2sc3cc(C(C)C)ccc3c12.Cc1cccc2sc3ccc(C(C)C)cc3c12.Cc1cccc2sc3cccc(C(C)C)c3c12
InChIInChI=1S/10C16H16S/c1-10(2)12-7-5-8-13-15-11(3)6-4-9-14(15)17-16(12)13;1-10(2)12-7-5-9-14-16(12)15-11(3)6-4-8-13(15)17-14;1-10(2)12-7-8-14-13(9-12)16-11(3)5-4-6-15(16)17-14;1-10(2)12-7-8-13-15(9-12)17-14-6-4-5-11(3)16(13)14;1-10(2)12-8-11(3)16-14(9-12)13-6-4-5-7-15(13)17-16;1-10(2)12-8-11(3)16-13-6-4-5-7-14(13)17-15(16)9-12;1-10(2)13-8-11(3)9-14-12-6-4-5-7-15(12)17-16(13)14;1-10(2)13-8-11(3)9-15-16(13)12-6-4-5-7-14(12)17-15;1-10(2)12-9-8-11(3)16-15(12)13-6-4-5-7-14(13)17-16;1-10(2)12-9-8-11(3)15-13-6-4-5-7-14(13)17-16(12)15/h10*4-10H,1-3H3
InChIKeyCWTICLKTPCOHLQ-UHFFFAOYSA-N
XLogP54.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms170
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002403.71
LogP ≤ 554.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-methyl-3-propan-2-yldibenzothiophene;1-methyl-4-propan-2-yldibenzothiophene;1-methyl-6-propan-2-yldibenzothiophene;1-methyl-7-propan-2-yldibenzothiophene;1-methyl-8-propan-2-yldibenzothiophene;1-methyl-9-propan-2-yldibenzothiophene;2-methyl-4-propan-2-yldibenzothiophene;3-methyl-1-propan-2-yldibenzothiophene;4-methyl-1-propan-2-yldibenzothiophene;4-methyl-2-propan-2-yldibenzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-dimethyldibenzothiophene;1,7-dimethyldibenzothiophene;1,8-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;2,6-dimethyldibenzothiophene;3,6-dimethyldibenzothiophene;2,7,9,9-tetramethylfluorene
CID 160691046
bis(1-methyldibenzothiophene);bis(2-methyldibenzothiophene);bis(3-methyldibenzothiophene);4-methyldibenzothiophene;toluene
CID 157283960
1-methyldibenzothiophene;2-methyldibenzothiophene;bis(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 158815126
bis(1-methyldibenzothiophene);bis(2-methyldibenzothiophene);tris(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 158221081
1-methyldibenzofuran;1-methyldibenzothiophene;2-methyldibenzothiophene;bis(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 159683586
1,2-diethylthioxanthen-9-one;3,6-dimethoxythioxanthen-9-one;2-methoxythioxanthen-9-one;2-methylthioxanthen-9-one;2-propan-2-ylthioxanthen-9-one;4-propan-2-ylthioxanthen-9-one;thioxanthen-9-one
CID 157179284
1-methyldibenzofuran;2-methyldibenzofuran;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;bis(4-methyldibenzothiophene);toluene
CID 165090146
9-propan-2-ylnaphtho[2,1-b][1]benzothiole
CID 71126581
1-methyldibenzothiophene
CID 23839
1,9-dimethylcarbazole;2,9-dimethylcarbazole;3,9-dimethylcarbazole;4,9-dimethylcarbazole;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene
CID 162148469
bis(1-chloro-4-ethylthioxanthen-9-one);2,4-diethylthioxanthen-9-one;2-methylthioxanthen-9-one;2-propan-2-ylthioxanthen-9-one;4-propan-2-ylthioxanthen-9-one;thioxanthen-9-one
CID 157400262
2-(6-methyl-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-11-yl)-4-propan-2-ylpyridine
CID 169291815

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yldibenzothiophene;1-methyl-4-propan-2-yldibenzothiophene;1-methyl-6-propan-2-yldibenzothiophene;1-methyl-7-propan-2-yldibenzothiophene;1-methyl-8-propan-2-yldibenzothiophene;1-methyl-9-propan-2-yldibenzothiophene;2-methyl-4-propan-2-yldibenzothiophene;3-methyl-1-propan-2-yldibenzothiophene;4-methyl-1-propan-2-yldibenzothiophene;4-methyl-2-propan-2-yldibenzothiophene?
The IUPAC name of 1-methyl-3-propan-2-yldibenzothiophene;1-methyl-4-propan-2-yldibenzothiophene;1-methyl-6-propan-2-yldibenzothiophene;1-methyl-7-propan-2-yldibenzothiophene;1-methyl-8-propan-2-yldibenzothiophene;1-methyl-9-propan-2-yldibenzothiophene;2-methyl-4-propan-2-yldibenzothiophene;3-methyl-1-propan-2-yldibenzothiophene;4-methyl-1-propan-2-yldibenzothiophene;4-methyl-2-propan-2-yldibenzothiophene (CID 163503597) is 1-methyl-3-propan-2-yldibenzothiophene;1-methyl-4-propan-2-yldibenzothiophene;1-methyl-6-propan-2-yldibenzothiophene;1-methyl-7-propan-2-yldibenzothiophene;1-methyl-8-propan-2-yldibenzothiophene;1-methyl-9-propan-2-yldibenzothiophene;2-methyl-4-propan-2-yldibenzothiophene;3-methyl-1-propan-2-yldibenzothiophene;4-methyl-1-propan-2-yldibenzothiophene;4-methyl-2-propan-2-yldibenzothiophene.
What is the SMILES notation for 1-methyl-3-propan-2-yldibenzothiophene;1-methyl-4-propan-2-yldibenzothiophene;1-methyl-6-propan-2-yldibenzothiophene;1-methyl-7-propan-2-yldibenzothiophene;1-methyl-8-propan-2-yldibenzothiophene;1-methyl-9-propan-2-yldibenzothiophene;2-methyl-4-propan-2-yldibenzothiophene;3-methyl-1-propan-2-yldibenzothiophene;4-methyl-1-propan-2-yldibenzothiophene;4-methyl-2-propan-2-yldibenzothiophene?
The canonical SMILES for 1-methyl-3-propan-2-yldibenzothiophene;1-methyl-4-propan-2-yldibenzothiophene;1-methyl-6-propan-2-yldibenzothiophene;1-methyl-7-propan-2-yldibenzothiophene;1-methyl-8-propan-2-yldibenzothiophene;1-methyl-9-propan-2-yldibenzothiophene;2-methyl-4-propan-2-yldibenzothiophene;3-methyl-1-propan-2-yldibenzothiophene;4-methyl-1-propan-2-yldibenzothiophene;4-methyl-2-propan-2-yldibenzothiophene is Cc1cc(C(C)C)c2c(c1)sc1ccccc12.Cc1cc(C(C)C)c2sc3ccccc3c2c1.Cc1cc(C(C)C)cc2c1sc1ccccc12.Cc1cc(C(C)C)cc2sc3ccccc3c12.Cc1ccc(C(C)C)c2c1sc1ccccc12.Cc1ccc(C(C)C)c2sc3ccccc3c12.Cc1cccc2sc3c(C(C)C)cccc3c12.Cc1cccc2sc3cc(C(C)C)ccc3c12.Cc1cccc2sc3ccc(C(C)C)cc3c12.Cc1cccc2sc3cccc(C(C)C)c3c12.
What is the InChIKey of 1-methyl-3-propan-2-yldibenzothiophene;1-methyl-4-propan-2-yldibenzothiophene;1-methyl-6-propan-2-yldibenzothiophene;1-methyl-7-propan-2-yldibenzothiophene;1-methyl-8-propan-2-yldibenzothiophene;1-methyl-9-propan-2-yldibenzothiophene;2-methyl-4-propan-2-yldibenzothiophene;3-methyl-1-propan-2-yldibenzothiophene;4-methyl-1-propan-2-yldibenzothiophene;4-methyl-2-propan-2-yldibenzothiophene?
The InChIKey is CWTICLKTPCOHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/10C16H16S/c1-10(2)12-7-5-8-13-15-11(3)6-4-9-14(15)17-16(12)13;1-10(2)12-7-5-9-14-16(12)15-11(3)6-4-8-13(15)17-14;1-10(2)12-7-8-14-13(9-12)16-11(3)5-4-6-15(16)17-14;1-10(2)12-7-8-13-15(9-12)17-14-6-4-5-11(3)16(13)14;1-10(2)12-8-11(3)16-14(9-12)13-6-4-5-7-15(13)17-16;1-10(2)12-8-11(3)16-13-6-4-5-7-14(13)17-15(16)9-12;1-10(2)13-8-11(3)9-14-12-6-4-5-7-15(12)17-16(13)14;1-10(2)13-8-11(3)9-15-16(13)12-6-4-5-7-14(12)17-15;1-10(2)12-9-8-11(3)16-15(12)13-6-4-5-7-14(13)17-16;1-10(2)12-9-8-11(3)15-13-6-4-5-7-14(13)17-16(12)15/h10*4-10H,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yldibenzothiophene;1-methyl-4-propan-2-yldibenzothiophene;1-methyl-6-propan-2-yldibenzothiophene;1-methyl-7-propan-2-yldibenzothiophene;1-methyl-8-propan-2-yldibenzothiophene;1-methyl-9-propan-2-yldibenzothiophene;2-methyl-4-propan-2-yldibenzothiophene;3-methyl-1-propan-2-yldibenzothiophene;4-methyl-1-propan-2-yldibenzothiophene;4-methyl-2-propan-2-yldibenzothiophene?
1-methyl-3-propan-2-yldibenzothiophene;1-methyl-4-propan-2-yldibenzothiophene;1-methyl-6-propan-2-yldibenzothiophene;1-methyl-7-propan-2-yldibenzothiophene;1-methyl-8-propan-2-yldibenzothiophene;1-methyl-9-propan-2-yldibenzothiophene;2-methyl-4-propan-2-yldibenzothiophene;3-methyl-1-propan-2-yldibenzothiophene;4-methyl-1-propan-2-yldibenzothiophene;4-methyl-2-propan-2-yldibenzothiophene has a molecular weight of 2403.71 g/mol, XLogP of 54.86, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yldibenzothiophene;1-methyl-4-propan-2-yldibenzothiophene;1-methyl-6-propan-2-yldibenzothiophene;1-methyl-7-propan-2-yldibenzothiophene;1-methyl-8-propan-2-yldibenzothiophene;1-methyl-9-propan-2-yldibenzothiophene;2-methyl-4-propan-2-yldibenzothiophene;3-methyl-1-propan-2-yldibenzothiophene;4-methyl-1-propan-2-yldibenzothiophene;4-methyl-2-propan-2-yldibenzothiophene is sourced from PubChem (CID 163503597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).