4-sulfanylimidazolidine-2-thione

C3H6N2S2 — CID 151716523

IUPAC4-sulfanylimidazolidine-2-thione
SMILESS=C1NCC(S)N1
InChIInChI=1S/C3H6N2S2/c6-2-1-4-3(7)5-2/h2,6H,1H2,(H2,4,5,7)
InChIKeyRHRJIAWVLGJURB-UHFFFAOYSA-N
MW134.23 g/mol
LogP-0.28
Rot. Bonds

About 4-sulfanylimidazolidine-2-thione

4-sulfanylimidazolidine-2-thione (PubChem CID 151716523) has the molecular formula C3H6N2S2 and a molecular weight of 134.23 g/mol. Its IUPAC name is 4-sulfanylimidazolidine-2-thione.

Molecular Properties

Compound Name4-sulfanylimidazolidine-2-thione
PubChem CID151716523
Molecular FormulaC3H6N2S2
Molecular Weight134.23 g/mol
Exact Mass134.00
IUPAC Name4-sulfanylimidazolidine-2-thione
SMILESS=C1NCC(S)N1
InChIInChI=1S/C3H6N2S2/c6-2-1-4-3(7)5-2/h2,6H,1H2,(H2,4,5,7)
InChIKeyRHRJIAWVLGJURB-UHFFFAOYSA-N
XLogP-0.28
TPSA24.06 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,3,4,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidine-2-thione
CID 3034715
(4S)-4-sulfanylpyrrolidine-2-thione
CID 11051701
1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidine-2-thione
CID 141446979
(4S)-4-methyl-1,3-diazinane-2-thione
CID 87683022
1,6-bis(sulfanyl)-1,3,5-triazinane-2,4-dithione
CID 123213454
1,3-diazetidine-2-thione
CID 15352372
(4S,5S)-4-ethyl-5-phenyl-1,3-diazinane-2-thione
CID 71422010
(2R,5R)-pyrrolidine-2,5-dithiol
CID 151347438
(2S)-2-[(2-sulfanylideneimidazolidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 88917642
5-cyclopentyl-1,3,5-triazinane-2-thione
CID 2824035
(1S,5R)-3,8-diazabicyclo[3.2.1]octane-2-thione
CID 148827081
(1R,5S)-2,4-diazabicyclo[3.3.1]nonane-3-thione
CID 155166805

Frequently Asked Questions

What is the IUPAC name of 4-sulfanylimidazolidine-2-thione?
The IUPAC name of 4-sulfanylimidazolidine-2-thione (CID 151716523) is 4-sulfanylimidazolidine-2-thione.
What is the SMILES notation for 4-sulfanylimidazolidine-2-thione?
The canonical SMILES for 4-sulfanylimidazolidine-2-thione is S=C1NCC(S)N1.
What is the InChIKey of 4-sulfanylimidazolidine-2-thione?
The InChIKey is RHRJIAWVLGJURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2S2/c6-2-1-4-3(7)5-2/h2,6H,1H2,(H2,4,5,7).
What are the key properties of 4-sulfanylimidazolidine-2-thione?
4-sulfanylimidazolidine-2-thione has a molecular weight of 134.23 g/mol, XLogP of -0.28, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanylimidazolidine-2-thione is sourced from PubChem (CID 151716523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).