2-(thietan-3-ylsulfanyl)-1,3,2-dithiazolidine

C5H9NS4 — CID 143739617

IUPAC2-(thietan-3-ylsulfanyl)-1,3,2-dithiazolidine
SMILESC1CSN(SC2CSC2)S1
InChIInChI=1S/C5H9NS4/c1-2-9-6(8-1)10-5-3-7-4-5/h5H,1-4H2
InChIKeyOVSKDRUYMMUALR-UHFFFAOYSA-N
MW211.40 g/mol
LogP2.36
Rot. Bonds2

About 2-(thietan-3-ylsulfanyl)-1,3,2-dithiazolidine

2-(thietan-3-ylsulfanyl)-1,3,2-dithiazolidine (PubChem CID 143739617) has the molecular formula C5H9NS4 and a molecular weight of 211.40 g/mol. Its IUPAC name is 2-(thietan-3-ylsulfanyl)-1,3,2-dithiazolidine.

Molecular Properties

Compound Name2-(thietan-3-ylsulfanyl)-1,3,2-dithiazolidine
PubChem CID143739617
Molecular FormulaC5H9NS4
Molecular Weight211.40 g/mol
Exact Mass210.96
IUPAC Name2-(thietan-3-ylsulfanyl)-1,3,2-dithiazolidine
SMILESC1CSN(SC2CSC2)S1
InChIInChI=1S/C5H9NS4/c1-2-9-6(8-1)10-5-3-7-4-5/h5H,1-4H2
InChIKeyOVSKDRUYMMUALR-UHFFFAOYSA-N
XLogP2.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[bis(thietan-3-yldisulfanyl)methyldisulfanyl]thietane
CID 122441305
sulfanyl-tris(thietan-3-ylsulfanyl)phosphanium
CID 87267405
CID 58271566
CID 58271566
2,2-bis(thietan-3-ylsulfanylmethyl)-1,3-dithiolane
CID 87568216
2-(thietan-3-ylsulfanylmethyl)-1,4-dithiane
CID 146197998
thietan-3-yl-λ2-stannane
CID 173079136
3,3-bis(thietan-3-ylsulfanyl)propanal
CID 141069543
1-(thietan-3-ylsulfanyl)heptane-4-thiol
CID 141069532
tetrakis(thietan-3-ol);zirconium
CID 140598106
3-[disulfanyl(disulfanylmethylsulfanyl)methyl]sulfanylthietane
CID 146197995
6-methyl-3-thia-6-azabicyclo[3.1.1]heptane
CID 121425560
CID 146695503
CID 146695503

Frequently Asked Questions

What is the IUPAC name of 2-(thietan-3-ylsulfanyl)-1,3,2-dithiazolidine?
The IUPAC name of 2-(thietan-3-ylsulfanyl)-1,3,2-dithiazolidine (CID 143739617) is 2-(thietan-3-ylsulfanyl)-1,3,2-dithiazolidine.
What is the SMILES notation for 2-(thietan-3-ylsulfanyl)-1,3,2-dithiazolidine?
The canonical SMILES for 2-(thietan-3-ylsulfanyl)-1,3,2-dithiazolidine is C1CSN(SC2CSC2)S1.
What is the InChIKey of 2-(thietan-3-ylsulfanyl)-1,3,2-dithiazolidine?
The InChIKey is OVSKDRUYMMUALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS4/c1-2-9-6(8-1)10-5-3-7-4-5/h5H,1-4H2.
What are the key properties of 2-(thietan-3-ylsulfanyl)-1,3,2-dithiazolidine?
2-(thietan-3-ylsulfanyl)-1,3,2-dithiazolidine has a molecular weight of 211.40 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thietan-3-ylsulfanyl)-1,3,2-dithiazolidine is sourced from PubChem (CID 143739617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).