3-(cyclopropylmethyl)-1,3-thiazolidine-2-thione

C7H11NS2 — CID 90848617

IUPAC3-(cyclopropylmethyl)-1,3-thiazolidine-2-thione
SMILESS=C1SCCN1CC1CC1
InChIInChI=1S/C7H11NS2/c9-7-8(3-4-10-7)5-6-1-2-6/h6H,1-5H2
InChIKeyBFAFPVIHCKIVOH-UHFFFAOYSA-N
MW173.31 g/mol
LogP1.73
Rot. Bonds2

About 3-(cyclopropylmethyl)-1,3-thiazolidine-2-thione

3-(cyclopropylmethyl)-1,3-thiazolidine-2-thione (PubChem CID 90848617) has the molecular formula C7H11NS2 and a molecular weight of 173.31 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-1,3-thiazolidine-2-thione
PubChem CID90848617
Molecular FormulaC7H11NS2
Molecular Weight173.31 g/mol
Exact Mass173.03
IUPAC Name3-(cyclopropylmethyl)-1,3-thiazolidine-2-thione
SMILESS=C1SCCN1CC1CC1
InChIInChI=1S/C7H11NS2/c9-7-8(3-4-10-7)5-6-1-2-6/h6H,1-5H2
InChIKeyBFAFPVIHCKIVOH-UHFFFAOYSA-N
XLogP1.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.31
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

3-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine-2-thione
CID 5106601
3-(piperidin-1-ium-1-ylmethyl)-1,3-thiazolidine-2-thione
CID 6951040
1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine;hydrobromide
CID 166161716
3-(cyclopropylmethyl)-N-(2,4-dichlorophenyl)-1,3-thiazolidin-2-imine
CID 18316095
1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
CID 79521586
1-(cyclopropylmethyl)-4-ethylpiperazin-2-one
CID 170709327
3-[methyl-[(2-sulfanylidene-1,3-thiazolidin-3-yl)methyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 56805298
4-(thian-4-ylmethyl)-1,4-diazepan-5-one
CID 115100428
4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperazin-2-one
CID 155150634
3,4-dibromo-1-(cyclopropylmethyl)-2H-pyrrol-5-one
CID 99983137
1-(cyclobutylmethyl)piperazin-2-one;hydrochloride
CID 67085388
ethane;1-[(4-methylcyclohexyl)methyl]pyrrolidin-2-one
CID 162255523

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-1,3-thiazolidine-2-thione?
The IUPAC name of 3-(cyclopropylmethyl)-1,3-thiazolidine-2-thione (CID 90848617) is 3-(cyclopropylmethyl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-(cyclopropylmethyl)-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-(cyclopropylmethyl)-1,3-thiazolidine-2-thione is S=C1SCCN1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-1,3-thiazolidine-2-thione?
The InChIKey is BFAFPVIHCKIVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS2/c9-7-8(3-4-10-7)5-6-1-2-6/h6H,1-5H2.
What are the key properties of 3-(cyclopropylmethyl)-1,3-thiazolidine-2-thione?
3-(cyclopropylmethyl)-1,3-thiazolidine-2-thione has a molecular weight of 173.31 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 90848617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).