(S)-4-Benzylthiazolidine-2-thione - CAS 171877-39-7
Catalog: |
BB012775 |
Product Name: |
(S)-4-Benzylthiazolidine-2-thione |
CAS: |
171877-39-7 |
Synonyms: |
(4S)-4-(phenylmethyl)-2-thiazolidinethione; (4S)-4-benzyl-1,3-thiazolidine-2-thione |
IUPAC Name: | (4S)-4-benzyl-1,3-thiazolidine-2-thione |
Description: | (S)-4-Benzylthiazolidine-2-thione (CAS# 171877-39-7) is a useful research chemical. |
Molecular Weight: | 209.33 |
Molecular Formula: | C10H11NS2 |
Canonical SMILES: | C1C(NC(=S)S1)CC2=CC=CC=C2 |
InChI: | InChI=1S/C10H11NS2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m0/s1 |
InChI Key: | SLDUGQISGRPGAW-VIFPVBQESA-N |
Boiling Point: | 328.4 °C / 760 mmHg |
Melting Point: | 93-94 °C |
Purity: | ≥ 95 % |
Density: | 1.27 g/cm3 |
MDL: | MFCD06658216 |
LogP: | 2.54780 |
Precautionary Statement: | P261 - P305 - P351 - P338 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021026273-A1 | Scaleable preparation of polyketides | 20190806 |
US-2021000119-A1 | Synthesis and anti-cancer activity of communesin alkaloids | 20190701 |
EP-3030556-A1 | Selective fkbp51 ligands for treatment of psychiatric disorders | 20130919 |
EP-3030556-B1 | Selective fkbp51 ligands for treatment of psychiatric disorders | 20130919 |
US-10246413-B2 | Selective FKBP51 ligands for treatment of psychiatric disorders | 20130919 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.0332917 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.0332917 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 69.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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Related Functional Groups
Oxazole/Thiazole
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