(2S)-2-[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-2,3-dihydro-1-benzothiophene

C16H14S2 — CID 11149916

IUPAC(2S)-2-[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-2,3-dihydro-1-benzothiophene
SMILESc1ccc2c(c1)C[C@@H]([C@@H]1Cc3ccccc3S1)S2
InChIInChI=1S/C16H14S2/c1-3-7-13-11(5-1)9-15(17-13)16-10-12-6-2-4-8-14(12)18-16/h1-8,15-16H,9-10H2/t15-,16-/m0/s1
InChIKeyPQTCHRQSFXQPOR-HOTGVXAUSA-N
MW270.42 g/mol
LogP4.42
Rot. Bonds1

About (2S)-2-[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-2,3-dihydro-1-benzothiophene

(2S)-2-[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-2,3-dihydro-1-benzothiophene (PubChem CID 11149916) has the molecular formula C16H14S2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (2S)-2-[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-2,3-dihydro-1-benzothiophene.

Molecular Properties

Compound Name(2S)-2-[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-2,3-dihydro-1-benzothiophene
PubChem CID11149916
Molecular FormulaC16H14S2
Molecular Weight270.42 g/mol
Exact Mass270.05
IUPAC Name(2S)-2-[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-2,3-dihydro-1-benzothiophene
SMILESc1ccc2c(c1)C[C@@H]([C@@H]1Cc3ccccc3S1)S2
InChIInChI=1S/C16H14S2/c1-3-7-13-11(5-1)9-15(17-13)16-10-12-6-2-4-8-14(12)18-16/h1-8,15-16H,9-10H2/t15-,16-/m0/s1
InChIKeyPQTCHRQSFXQPOR-HOTGVXAUSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-2,3-dihydro-1-benzothiophene with MolForge

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Related Compounds

2,3-dimethyl-3,4-dihydro-2H-thiochromene
CID 19855208
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
2,3-dihydro-1-benzothiophene-2-carboxylate
CID 74756271
2-(2-chlorophenyl)-2,3-dihydro-1-benzothiophene
CID 102045962
2-azido-2,3-dihydro-1-benzothiophene
CID 86188795
2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)ethanamine
CID 79221930
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopropan-1-amine
CID 79223158
14-oxa-3,25-dithia-13,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-4,6,8,12,15,19,21,23-octaene
CID 10808785
cyclopropyl(2,3-dihydro-1-benzothiophen-2-yl)methanone
CID 130171257
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azocane
CID 79319950
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
CID 18545992
3,4-dihydro-2H-thiochromen-2-ol
CID 23450714

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-2,3-dihydro-1-benzothiophene?
The IUPAC name of (2S)-2-[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-2,3-dihydro-1-benzothiophene (CID 11149916) is (2S)-2-[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-2,3-dihydro-1-benzothiophene.
What is the SMILES notation for (2S)-2-[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-2,3-dihydro-1-benzothiophene?
The canonical SMILES for (2S)-2-[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-2,3-dihydro-1-benzothiophene is c1ccc2c(c1)C[C@@H]([C@@H]1Cc3ccccc3S1)S2.
What is the InChIKey of (2S)-2-[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-2,3-dihydro-1-benzothiophene?
The InChIKey is PQTCHRQSFXQPOR-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H14S2/c1-3-7-13-11(5-1)9-15(17-13)16-10-12-6-2-4-8-14(12)18-16/h1-8,15-16H,9-10H2/t15-,16-/m0/s1.
What are the key properties of (2S)-2-[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-2,3-dihydro-1-benzothiophene?
(2S)-2-[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-2,3-dihydro-1-benzothiophene has a molecular weight of 270.42 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-2,3-dihydro-1-benzothiophene is sourced from PubChem (CID 11149916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).