(2S,4S)-3-methyl-2,4-diphenylspiro[1,3-thiazolidine-5,9'-thioxanthene]

C28H23NS2 — CID 100907054

IUPAC(2S,4S)-3-methyl-2,4-diphenylspiro[1,3-thiazolidine-5,9'-thioxanthene]
SMILESCN1[C@@H](c2ccccc2)C2(S[C@H]1c1ccccc1)c1ccccc1Sc1ccccc12
InChIInChI=1S/C28H23NS2/c1-29-26(20-12-4-2-5-13-20)28(31-27(29)21-14-6-3-7-15-21)22-16-8-10-18-24(22)30-25-19-11-9-17-23(25)28/h2-19,26-27H,1H3/t26-,27-/m0/s1
InChIKeyRFLHEKITURKEQY-SVBPBHIXSA-N
MW437.63 g/mol
LogP7.51
Rot. Bonds2

About (2S,4S)-3-methyl-2,4-diphenylspiro[1,3-thiazolidine-5,9'-thioxanthene]

(2S,4S)-3-methyl-2,4-diphenylspiro[1,3-thiazolidine-5,9'-thioxanthene] (PubChem CID 100907054) has the molecular formula C28H23NS2 and a molecular weight of 437.63 g/mol. Its IUPAC name is (2S,4S)-3-methyl-2,4-diphenylspiro[1,3-thiazolidine-5,9'-thioxanthene].

Molecular Properties

Compound Name(2S,4S)-3-methyl-2,4-diphenylspiro[1,3-thiazolidine-5,9'-thioxanthene]
PubChem CID100907054
Molecular FormulaC28H23NS2
Molecular Weight437.63 g/mol
Exact Mass437.13
IUPAC Name(2S,4S)-3-methyl-2,4-diphenylspiro[1,3-thiazolidine-5,9'-thioxanthene]
SMILESCN1[C@@H](c2ccccc2)C2(S[C@H]1c1ccccc1)c1ccccc1Sc1ccccc12
InChIInChI=1S/C28H23NS2/c1-29-26(20-12-4-2-5-13-20)28(31-27(29)21-14-6-3-7-15-21)22-16-8-10-18-24(22)30-25-19-11-9-17-23(25)28/h2-19,26-27H,1H3/t26-,27-/m0/s1
InChIKeyRFLHEKITURKEQY-SVBPBHIXSA-N
XLogP7.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.63
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-3-methyl-2,4-diphenylspiro[1,3-thiazolidine-5,9'-thioxanthene]?
The IUPAC name of (2S,4S)-3-methyl-2,4-diphenylspiro[1,3-thiazolidine-5,9'-thioxanthene] (CID 100907054) is (2S,4S)-3-methyl-2,4-diphenylspiro[1,3-thiazolidine-5,9'-thioxanthene].
What is the SMILES notation for (2S,4S)-3-methyl-2,4-diphenylspiro[1,3-thiazolidine-5,9'-thioxanthene]?
The canonical SMILES for (2S,4S)-3-methyl-2,4-diphenylspiro[1,3-thiazolidine-5,9'-thioxanthene] is CN1[C@@H](c2ccccc2)C2(S[C@H]1c1ccccc1)c1ccccc1Sc1ccccc12.
What is the InChIKey of (2S,4S)-3-methyl-2,4-diphenylspiro[1,3-thiazolidine-5,9'-thioxanthene]?
The InChIKey is RFLHEKITURKEQY-SVBPBHIXSA-N. The full InChI is InChI=1S/C28H23NS2/c1-29-26(20-12-4-2-5-13-20)28(31-27(29)21-14-6-3-7-15-21)22-16-8-10-18-24(22)30-25-19-11-9-17-23(25)28/h2-19,26-27H,1H3/t26-,27-/m0/s1.
What are the key properties of (2S,4S)-3-methyl-2,4-diphenylspiro[1,3-thiazolidine-5,9'-thioxanthene]?
(2S,4S)-3-methyl-2,4-diphenylspiro[1,3-thiazolidine-5,9'-thioxanthene] has a molecular weight of 437.63 g/mol, XLogP of 7.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-3-methyl-2,4-diphenylspiro[1,3-thiazolidine-5,9'-thioxanthene] is sourced from PubChem (CID 100907054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).