(4S)-4-propan-2-yl-1,3-thiazolidine-2-thione

C6H11NS2 — CID 11321340

IUPAC(4S)-4-propan-2-yl-1,3-thiazolidine-2-thione
SMILESCC(C)[C@H]1CSC(=S)N1
InChIInChI=1S/C6H11NS2/c1-4(2)5-3-9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)/t5-/m1/s1
InChIKeyCWIZUGZKLJDJLE-RXMQYKEDSA-N
MW161.29 g/mol
LogP1.63
Rot. Bonds1

About (4S)-4-propan-2-yl-1,3-thiazolidine-2-thione

(4S)-4-propan-2-yl-1,3-thiazolidine-2-thione (PubChem CID 11321340) has the molecular formula C6H11NS2 and a molecular weight of 161.29 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-1,3-thiazolidine-2-thione
PubChem CID11321340
Molecular FormulaC6H11NS2
Molecular Weight161.29 g/mol
Exact Mass161.03
IUPAC Name(4S)-4-propan-2-yl-1,3-thiazolidine-2-thione
SMILESCC(C)[C@H]1CSC(=S)N1
InChIInChI=1S/C6H11NS2/c1-4(2)5-3-9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)/t5-/m1/s1
InChIKeyCWIZUGZKLJDJLE-RXMQYKEDSA-N
XLogP1.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-1,3-thiazolidine-2-thione?
The IUPAC name of (4S)-4-propan-2-yl-1,3-thiazolidine-2-thione (CID 11321340) is (4S)-4-propan-2-yl-1,3-thiazolidine-2-thione.
What is the SMILES notation for (4S)-4-propan-2-yl-1,3-thiazolidine-2-thione?
The canonical SMILES for (4S)-4-propan-2-yl-1,3-thiazolidine-2-thione is CC(C)[C@H]1CSC(=S)N1.
What is the InChIKey of (4S)-4-propan-2-yl-1,3-thiazolidine-2-thione?
The InChIKey is CWIZUGZKLJDJLE-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11NS2/c1-4(2)5-3-9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)/t5-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-1,3-thiazolidine-2-thione?
(4S)-4-propan-2-yl-1,3-thiazolidine-2-thione has a molecular weight of 161.29 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 11321340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).