2-sulfanylideneimidazolidine-1-carbothioic S-acid

C4H6N2OS2 — CID 145167108

IUPAC2-sulfanylideneimidazolidine-1-carbothioic S-acid
SMILESO=C(S)N1CCNC1=S
InChIInChI=1S/C4H6N2OS2/c7-4(9)6-2-1-5-3(6)8/h1-2H2,(H,5,8)(H,7,9)
InChIKeyIIYDNGUWHUGKQX-UHFFFAOYSA-N
MW162.24 g/mol
LogP0.23
Rot. Bonds

About 2-sulfanylideneimidazolidine-1-carbothioic S-acid

2-sulfanylideneimidazolidine-1-carbothioic S-acid (PubChem CID 145167108) has the molecular formula C4H6N2OS2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-sulfanylideneimidazolidine-1-carbothioic S-acid.

Molecular Properties

Compound Name2-sulfanylideneimidazolidine-1-carbothioic S-acid
PubChem CID145167108
Molecular FormulaC4H6N2OS2
Molecular Weight162.24 g/mol
Exact Mass161.99
IUPAC Name2-sulfanylideneimidazolidine-1-carbothioic S-acid
SMILESO=C(S)N1CCNC1=S
InChIInChI=1S/C4H6N2OS2/c7-4(9)6-2-1-5-3(6)8/h1-2H2,(H,5,8)(H,7,9)
InChIKeyIIYDNGUWHUGKQX-UHFFFAOYSA-N
XLogP0.23
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Sulfanylideneimidazolidin-2-one
CID 2049164
2-Sulfanylideneimidazolidine-1-carbaldehyde
CID 55286756
1-Thiocarbamoyl-2-imidazolidinone
CID 3037080
Magnesium;2-sulfanylideneimidazolidine-1-carboxylate;bromide
CID 135082034
N,N-bis(methylsulfanyl)-2-sulfanylideneimidazolidine-1-carboxamide
CID 21150897
1-(2-Sulfanylideneimidazolidine-1-carbothioyl)imidazolidin-2-one
CID 3268835
1-Imidazolidinecarbonyl chloride, 2-thioxo-
CID 12900322
N-methyl-2-oxoimidazolidine-1-carbothioamide
CID 13031747
N-ethyl-2-oxoimidazolidine-1-carbothioamide
CID 13031748
2-Oxoimidazolidine-1-carbothioyl chloride
CID 14729299
1,3-Dimethyl-4-(methylaminocarbonylamino)-imidazoline-2-thione
CID 86744904
2-Sulfanylideneimidazolidine-1-carboxylic acid
CID 135082035

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylideneimidazolidine-1-carbothioic S-acid?
The IUPAC name of 2-sulfanylideneimidazolidine-1-carbothioic S-acid (CID 145167108) is 2-sulfanylideneimidazolidine-1-carbothioic S-acid.
What is the SMILES notation for 2-sulfanylideneimidazolidine-1-carbothioic S-acid?
The canonical SMILES for 2-sulfanylideneimidazolidine-1-carbothioic S-acid is O=C(S)N1CCNC1=S.
What is the InChIKey of 2-sulfanylideneimidazolidine-1-carbothioic S-acid?
The InChIKey is IIYDNGUWHUGKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS2/c7-4(9)6-2-1-5-3(6)8/h1-2H2,(H,5,8)(H,7,9).
What are the key properties of 2-sulfanylideneimidazolidine-1-carbothioic S-acid?
2-sulfanylideneimidazolidine-1-carbothioic S-acid has a molecular weight of 162.24 g/mol, XLogP of 0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylideneimidazolidine-1-carbothioic S-acid is sourced from PubChem (CID 145167108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).