3-(2-methylhexan-2-yl)-1,3-thiazolidine-2-thione

C10H19NS2 — CID 21324790

IUPAC3-(2-methylhexan-2-yl)-1,3-thiazolidine-2-thione
SMILESCCCCC(C)(C)N1CCSC1=S
InChIInChI=1S/C10H19NS2/c1-4-5-6-10(2,3)11-7-8-13-9(11)12/h4-8H2,1-3H3
InChIKeyYJWKJGKFLIFKDG-UHFFFAOYSA-N
MW217.40 g/mol
LogP3.29
Rot. Bonds4

About 3-(2-methylhexan-2-yl)-1,3-thiazolidine-2-thione

3-(2-methylhexan-2-yl)-1,3-thiazolidine-2-thione (PubChem CID 21324790) has the molecular formula C10H19NS2 and a molecular weight of 217.40 g/mol. Its IUPAC name is 3-(2-methylhexan-2-yl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-(2-methylhexan-2-yl)-1,3-thiazolidine-2-thione
PubChem CID21324790
Molecular FormulaC10H19NS2
Molecular Weight217.40 g/mol
Exact Mass217.10
IUPAC Name3-(2-methylhexan-2-yl)-1,3-thiazolidine-2-thione
SMILESCCCCC(C)(C)N1CCSC1=S
InChIInChI=1S/C10H19NS2/c1-4-5-6-10(2,3)11-7-8-13-9(11)12/h4-8H2,1-3H3
InChIKeyYJWKJGKFLIFKDG-UHFFFAOYSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 53.29
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-(2-methylhexan-2-yl)-1,3-thiazolidine-2-thione?
The IUPAC name of 3-(2-methylhexan-2-yl)-1,3-thiazolidine-2-thione (CID 21324790) is 3-(2-methylhexan-2-yl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-(2-methylhexan-2-yl)-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-(2-methylhexan-2-yl)-1,3-thiazolidine-2-thione is CCCCC(C)(C)N1CCSC1=S.
What is the InChIKey of 3-(2-methylhexan-2-yl)-1,3-thiazolidine-2-thione?
The InChIKey is YJWKJGKFLIFKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS2/c1-4-5-6-10(2,3)11-7-8-13-9(11)12/h4-8H2,1-3H3.
What are the key properties of 3-(2-methylhexan-2-yl)-1,3-thiazolidine-2-thione?
3-(2-methylhexan-2-yl)-1,3-thiazolidine-2-thione has a molecular weight of 217.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylhexan-2-yl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 21324790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).