(4S,5R)-3,4,5-trimethyl-1,3-thiazolidine-2-thione

C6H11NS2 — CID 139054563

IUPAC(4S,5R)-3,4,5-trimethyl-1,3-thiazolidine-2-thione
SMILESC[C@H]1SC(=S)N(C)[C@H]1C
InChIInChI=1S/C6H11NS2/c1-4-5(2)9-6(8)7(4)3/h4-5H,1-3H3/t4-,5+/m0/s1
InChIKeyPAZYGKOHGQRPSG-CRCLSJGQSA-N
MW161.29 g/mol
LogP1.73
Rot. Bonds

About (4S,5R)-3,4,5-trimethyl-1,3-thiazolidine-2-thione

(4S,5R)-3,4,5-trimethyl-1,3-thiazolidine-2-thione (PubChem CID 139054563) has the molecular formula C6H11NS2 and a molecular weight of 161.29 g/mol. Its IUPAC name is (4S,5R)-3,4,5-trimethyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name(4S,5R)-3,4,5-trimethyl-1,3-thiazolidine-2-thione
PubChem CID139054563
Molecular FormulaC6H11NS2
Molecular Weight161.29 g/mol
Exact Mass161.03
IUPAC Name(4S,5R)-3,4,5-trimethyl-1,3-thiazolidine-2-thione
SMILESC[C@H]1SC(=S)N(C)[C@H]1C
InChIInChI=1S/C6H11NS2/c1-4-5(2)9-6(8)7(4)3/h4-5H,1-3H3/t4-,5+/m0/s1
InChIKeyPAZYGKOHGQRPSG-CRCLSJGQSA-N
XLogP1.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Thiazolidinethione, 3-isopropyl-
CID 238966
3-Propylthiazolidine-2-thione
CID 44430052
(4S)-3-methyl-4-propan-2-yl-1,3-thiazolidine-2-thione
CID 93506966
3,4,4-Trimethyl-1,3-thiazolidine-2-thione
CID 10534992
3-Butyl-1,3-thiazolidine-2-thione
CID 426933
3,4-Dimethyl-1,3-thiazolidine-2-thione
CID 13725271
Ethyl pyrrolidine-1-carbodithioate
CID 14287987
3,5-Dimethyl-1,3-thiazolidine-2-thione
CID 14289428
5-Ethyl-3-methyl-1,3-thiazolidine-2-thione
CID 14289429
3-Butan-2-yl-1,3-thiazolidine
CID 15163850
2,3,4,5-Tetramethyl-1,3-thiazolidine
CID 18723724
1-[4-(Sulfanylmethyl)-1,3-thiazolidin-3-yl]propane-1-thione
CID 20648635

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3,4,5-trimethyl-1,3-thiazolidine-2-thione?
The IUPAC name of (4S,5R)-3,4,5-trimethyl-1,3-thiazolidine-2-thione (CID 139054563) is (4S,5R)-3,4,5-trimethyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for (4S,5R)-3,4,5-trimethyl-1,3-thiazolidine-2-thione?
The canonical SMILES for (4S,5R)-3,4,5-trimethyl-1,3-thiazolidine-2-thione is C[C@H]1SC(=S)N(C)[C@H]1C.
What is the InChIKey of (4S,5R)-3,4,5-trimethyl-1,3-thiazolidine-2-thione?
The InChIKey is PAZYGKOHGQRPSG-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H11NS2/c1-4-5(2)9-6(8)7(4)3/h4-5H,1-3H3/t4-,5+/m0/s1.
What are the key properties of (4S,5R)-3,4,5-trimethyl-1,3-thiazolidine-2-thione?
(4S,5R)-3,4,5-trimethyl-1,3-thiazolidine-2-thione has a molecular weight of 161.29 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3,4,5-trimethyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 139054563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).