(4S)-3,4-bis(2-methylpropyl)-1,3-thiazolidine-2-thione

C11H21NS2 — CID 22951238

IUPAC(4S)-3,4-bis(2-methylpropyl)-1,3-thiazolidine-2-thione
SMILESCC(C)C[C@H]1CSC(=S)N1CC(C)C
InChIInChI=1S/C11H21NS2/c1-8(2)5-10-7-14-11(13)12(10)6-9(3)4/h8-10H,5-7H2,1-4H3/t10-/m0/s1
InChIKeyJKSAFVFFUSYUAC-JTQLQIEISA-N
MW231.43 g/mol
LogP3.39
Rot. Bonds4

About (4S)-3,4-bis(2-methylpropyl)-1,3-thiazolidine-2-thione

(4S)-3,4-bis(2-methylpropyl)-1,3-thiazolidine-2-thione (PubChem CID 22951238) has the molecular formula C11H21NS2 and a molecular weight of 231.43 g/mol. Its IUPAC name is (4S)-3,4-bis(2-methylpropyl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name(4S)-3,4-bis(2-methylpropyl)-1,3-thiazolidine-2-thione
PubChem CID22951238
Molecular FormulaC11H21NS2
Molecular Weight231.43 g/mol
Exact Mass231.11
IUPAC Name(4S)-3,4-bis(2-methylpropyl)-1,3-thiazolidine-2-thione
SMILESCC(C)C[C@H]1CSC(=S)N1CC(C)C
InChIInChI=1S/C11H21NS2/c1-8(2)5-10-7-14-11(13)12(10)6-9(3)4/h8-10H,5-7H2,1-4H3/t10-/m0/s1
InChIKeyJKSAFVFFUSYUAC-JTQLQIEISA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
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)-3,4-bis(2-methylpropyl)-1,3-thiazolidine-2-thione?
The IUPAC name of (4S)-3,4-bis(2-methylpropyl)-1,3-thiazolidine-2-thione (CID 22951238) is (4S)-3,4-bis(2-methylpropyl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for (4S)-3,4-bis(2-methylpropyl)-1,3-thiazolidine-2-thione?
The canonical SMILES for (4S)-3,4-bis(2-methylpropyl)-1,3-thiazolidine-2-thione is CC(C)C[C@H]1CSC(=S)N1CC(C)C.
What is the InChIKey of (4S)-3,4-bis(2-methylpropyl)-1,3-thiazolidine-2-thione?
The InChIKey is JKSAFVFFUSYUAC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NS2/c1-8(2)5-10-7-14-11(13)12(10)6-9(3)4/h8-10H,5-7H2,1-4H3/t10-/m0/s1.
What are the key properties of (4S)-3,4-bis(2-methylpropyl)-1,3-thiazolidine-2-thione?
(4S)-3,4-bis(2-methylpropyl)-1,3-thiazolidine-2-thione has a molecular weight of 231.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,4-bis(2-methylpropyl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 22951238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).