3-hexan-2-yl-1,3-thiazolidine-2-thione

C9H17NS2 — CID 88743645

IUPAC3-hexan-2-yl-1,3-thiazolidine-2-thione
SMILESCCCCC(C)N1CCSC1=S
InChIInChI=1S/C9H17NS2/c1-3-4-5-8(2)10-6-7-12-9(10)11/h8H,3-7H2,1-2H3
InChIKeyVGCXJKWMOFTRAX-UHFFFAOYSA-N
MW203.38 g/mol
LogP2.90
Rot. Bonds4

About 3-hexan-2-yl-1,3-thiazolidine-2-thione

3-hexan-2-yl-1,3-thiazolidine-2-thione (PubChem CID 88743645) has the molecular formula C9H17NS2 and a molecular weight of 203.38 g/mol. Its IUPAC name is 3-hexan-2-yl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-hexan-2-yl-1,3-thiazolidine-2-thione
PubChem CID88743645
Molecular FormulaC9H17NS2
Molecular Weight203.38 g/mol
Exact Mass203.08
IUPAC Name3-hexan-2-yl-1,3-thiazolidine-2-thione
SMILESCCCCC(C)N1CCSC1=S
InChIInChI=1S/C9H17NS2/c1-3-4-5-8(2)10-6-7-12-9(10)11/h8H,3-7H2,1-2H3
InChIKeyVGCXJKWMOFTRAX-UHFFFAOYSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.38
LogP ≤ 52.90
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 3-hexan-2-yl-1,3-thiazolidine-2-thione?
The IUPAC name of 3-hexan-2-yl-1,3-thiazolidine-2-thione (CID 88743645) is 3-hexan-2-yl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-hexan-2-yl-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-hexan-2-yl-1,3-thiazolidine-2-thione is CCCCC(C)N1CCSC1=S.
What is the InChIKey of 3-hexan-2-yl-1,3-thiazolidine-2-thione?
The InChIKey is VGCXJKWMOFTRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS2/c1-3-4-5-8(2)10-6-7-12-9(10)11/h8H,3-7H2,1-2H3.
What are the key properties of 3-hexan-2-yl-1,3-thiazolidine-2-thione?
3-hexan-2-yl-1,3-thiazolidine-2-thione has a molecular weight of 203.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexan-2-yl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 88743645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).