(7aR)-2,3-dimethylidene-3a,7a-dihydro-1-benzothiophene

C10H10S — CID 90269863

IUPAC(7aR)-2,3-dimethylidene-3a,7a-dihydro-1-benzothiophene
SMILESC=C1S[C@@H]2C=CC=CC2C1=C
InChIInChI=1S/C10H10S/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,9-10H,1-2H2/t9?,10-/m1/s1
InChIKeyJCJLOBJQHNIGEH-QVDQXJPCSA-N
MW162.26 g/mol
LogP2.91
Rot. Bonds

About (7aR)-2,3-dimethylidene-3a,7a-dihydro-1-benzothiophene

(7aR)-2,3-dimethylidene-3a,7a-dihydro-1-benzothiophene (PubChem CID 90269863) has the molecular formula C10H10S and a molecular weight of 162.26 g/mol. Its IUPAC name is (7aR)-2,3-dimethylidene-3a,7a-dihydro-1-benzothiophene.

Molecular Properties

Compound Name(7aR)-2,3-dimethylidene-3a,7a-dihydro-1-benzothiophene
PubChem CID90269863
Molecular FormulaC10H10S
Molecular Weight162.26 g/mol
Exact Mass162.05
IUPAC Name(7aR)-2,3-dimethylidene-3a,7a-dihydro-1-benzothiophene
SMILESC=C1S[C@@H]2C=CC=CC2C1=C
InChIInChI=1S/C10H10S/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,9-10H,1-2H2/t9?,10-/m1/s1
InChIKeyJCJLOBJQHNIGEH-QVDQXJPCSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7aR)-2,3-dimethylidene-3a,7a-dihydro-1-benzothiophene?
The IUPAC name of (7aR)-2,3-dimethylidene-3a,7a-dihydro-1-benzothiophene (CID 90269863) is (7aR)-2,3-dimethylidene-3a,7a-dihydro-1-benzothiophene.
What is the SMILES notation for (7aR)-2,3-dimethylidene-3a,7a-dihydro-1-benzothiophene?
The canonical SMILES for (7aR)-2,3-dimethylidene-3a,7a-dihydro-1-benzothiophene is C=C1S[C@@H]2C=CC=CC2C1=C.
What is the InChIKey of (7aR)-2,3-dimethylidene-3a,7a-dihydro-1-benzothiophene?
The InChIKey is JCJLOBJQHNIGEH-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H10S/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,9-10H,1-2H2/t9?,10-/m1/s1.
What are the key properties of (7aR)-2,3-dimethylidene-3a,7a-dihydro-1-benzothiophene?
(7aR)-2,3-dimethylidene-3a,7a-dihydro-1-benzothiophene has a molecular weight of 162.26 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-2,3-dimethylidene-3a,7a-dihydro-1-benzothiophene is sourced from PubChem (CID 90269863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).