(2'S)-2'-(phenylsulfanylmethyl)spiro[1,3-dihydroindene-2,4'-oxolane]

C19H20OS — CID 166445821

IUPAC(2'S)-2'-(phenylsulfanylmethyl)spiro[1,3-dihydroindene-2,4'-oxolane]
SMILESc1ccc(SC[C@@H]2CC3(CO2)Cc2ccccc2C3)cc1
InChIInChI=1S/C19H20OS/c1-2-8-18(9-3-1)21-13-17-12-19(14-20-17)10-15-6-4-5-7-16(15)11-19/h1-9,17H,10-14H2/t17-/m0/s1
InChIKeyXMVFHJLAVSKFRF-KRWDZBQOSA-N
MW296.44 g/mol
LogP4.35
Rot. Bonds3

About (2'S)-2'-(phenylsulfanylmethyl)spiro[1,3-dihydroindene-2,4'-oxolane]

(2'S)-2'-(phenylsulfanylmethyl)spiro[1,3-dihydroindene-2,4'-oxolane] (PubChem CID 166445821) has the molecular formula C19H20OS and a molecular weight of 296.44 g/mol. Its IUPAC name is (2'S)-2'-(phenylsulfanylmethyl)spiro[1,3-dihydroindene-2,4'-oxolane].

Molecular Properties

Compound Name(2'S)-2'-(phenylsulfanylmethyl)spiro[1,3-dihydroindene-2,4'-oxolane]
PubChem CID166445821
Molecular FormulaC19H20OS
Molecular Weight296.44 g/mol
Exact Mass296.12
IUPAC Name(2'S)-2'-(phenylsulfanylmethyl)spiro[1,3-dihydroindene-2,4'-oxolane]
SMILESc1ccc(SC[C@@H]2CC3(CO2)Cc2ccccc2C3)cc1
InChIInChI=1S/C19H20OS/c1-2-8-18(9-3-1)21-13-17-12-19(14-20-17)10-15-6-4-5-7-16(15)11-19/h1-9,17H,10-14H2/t17-/m0/s1
InChIKeyXMVFHJLAVSKFRF-KRWDZBQOSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2'S)-2'-(phenylsulfanylmethyl)spiro[1,3-dihydroindene-2,4'-oxolane] 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

(4S)-4-ethenyl-1',1',3',3'-tetramethylspiro[1,3-oxathiolane-2,2'-indene]
CID 11277350
1',1',3',3'-Tetramethyl-4-phenylspiro[1,3-oxathiolane-2,2'-indene]
CID 101156724
1',1',3',3',5-Pentamethylspiro[1,3-oxathiolane-2,2'-indene]
CID 101156727
5-Butyl-1',1',3',3'-tetramethylspiro[1,3-oxathiolane-2,2'-indene]
CID 101156728
1',1',3',3',4-Pentamethylspiro[1,3-oxathiolane-2,2'-indene]
CID 101156729
4-Butyl-1',1',3',3'-tetramethylspiro[1,3-oxathiolane-2,2'-indene]
CID 101156730
9-(Methoxymethyl)-9-(methylsulfanylmethyl)fluorene
CID 86045628
9-(Ethylsulfanylmethyl)-9-(methoxymethyl)fluorene
CID 86045629
9-(Methoxymethyl)-9-(propylsulfanylmethyl)fluorene
CID 86045630
9-(Methoxymethyl)-9-(propan-2-ylsulfanylmethyl)fluorene
CID 86045633
9-(Butylsulfanylmethyl)-9-(methoxymethyl)fluorene
CID 86045634
9-(Methoxymethyl)-9-(2-methylpropylsulfanylmethyl)fluorene
CID 86045637

Frequently Asked Questions

What is the IUPAC name of (2'S)-2'-(phenylsulfanylmethyl)spiro[1,3-dihydroindene-2,4'-oxolane]?
The IUPAC name of (2'S)-2'-(phenylsulfanylmethyl)spiro[1,3-dihydroindene-2,4'-oxolane] (CID 166445821) is (2'S)-2'-(phenylsulfanylmethyl)spiro[1,3-dihydroindene-2,4'-oxolane].
What is the SMILES notation for (2'S)-2'-(phenylsulfanylmethyl)spiro[1,3-dihydroindene-2,4'-oxolane]?
The canonical SMILES for (2'S)-2'-(phenylsulfanylmethyl)spiro[1,3-dihydroindene-2,4'-oxolane] is c1ccc(SC[C@@H]2CC3(CO2)Cc2ccccc2C3)cc1.
What is the InChIKey of (2'S)-2'-(phenylsulfanylmethyl)spiro[1,3-dihydroindene-2,4'-oxolane]?
The InChIKey is XMVFHJLAVSKFRF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20OS/c1-2-8-18(9-3-1)21-13-17-12-19(14-20-17)10-15-6-4-5-7-16(15)11-19/h1-9,17H,10-14H2/t17-/m0/s1.
What are the key properties of (2'S)-2'-(phenylsulfanylmethyl)spiro[1,3-dihydroindene-2,4'-oxolane]?
(2'S)-2'-(phenylsulfanylmethyl)spiro[1,3-dihydroindene-2,4'-oxolane] has a molecular weight of 296.44 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S)-2'-(phenylsulfanylmethyl)spiro[1,3-dihydroindene-2,4'-oxolane] is sourced from PubChem (CID 166445821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).