[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl] carbamimidothioate

C5H8N2O2S2 — CID 51421535

IUPAC[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl] carbamimidothioate
SMILES[H]/N=C(\N)S[C@@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C5H8N2O2S2/c6-5(7)10-4-1-2-11(8,9)3-4/h1-2,4H,3H2,(H3,6,7)/t4-/m1/s1
InChIKeyLDDJECAYOZLNJC-SCSAIBSYSA-N
MW192.27 g/mol
LogP-0.08
Rot. Bonds1

About [(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl] carbamimidothioate

[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl] carbamimidothioate (PubChem CID 51421535) has the molecular formula C5H8N2O2S2 and a molecular weight of 192.27 g/mol. Its IUPAC name is [(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl] carbamimidothioate.

Molecular Properties

Compound Name[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl] carbamimidothioate
PubChem CID51421535
Molecular FormulaC5H8N2O2S2
Molecular Weight192.27 g/mol
Exact Mass192.00
IUPAC Name[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl] carbamimidothioate
SMILES[H]/N=C(\N)S[C@@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C5H8N2O2S2/c6-5(7)10-4-1-2-11(8,9)3-4/h1-2,4H,3H2,(H3,6,7)/t4-/m1/s1
InChIKeyLDDJECAYOZLNJC-SCSAIBSYSA-N
XLogP-0.08
TPSA84.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[amino-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfanyl]methylidene]-formamidoazanium
CID 135460908
(1,1-dioxo-2,3-dihydrothiophen-3-yl) N,N-diethylcarbamodithioate
CID 3699587
(4-methyl-1,1-dioxothiolan-3-yl) carbamimidothioate;sulfuric acid
CID 45048013
cycloheptyl carbamimidothioate
CID 82935855
3-hexylsulfanyl-2,3-dihydrothiophene 1,1-dioxide
CID 3760753
(1-methylpiperidin-4-yl) carbamimidothioate
CID 164875555
cyclohexyl carbamimidothioate;hydrobromide
CID 13257205
[(1S,2S)-2-(1-hydroxyethenyl)cyclopropyl] carbamimidothioate
CID 118493191
cyclohexyl carbamimidothioate;oxalonitrile
CID 162013325
N-carbamoyl-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide
CID 60694060
1,1-dioxothiolane-3-carboximidamide
CID 61057340
[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-dimethylazanium
CID 7452125

Frequently Asked Questions

What is the IUPAC name of [(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl] carbamimidothioate?
The IUPAC name of [(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl] carbamimidothioate (CID 51421535) is [(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl] carbamimidothioate.
What is the SMILES notation for [(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl] carbamimidothioate?
The canonical SMILES for [(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl] carbamimidothioate is [H]/N=C(\N)S[C@@H]1C=CS(=O)(=O)C1.
What is the InChIKey of [(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl] carbamimidothioate?
The InChIKey is LDDJECAYOZLNJC-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H8N2O2S2/c6-5(7)10-4-1-2-11(8,9)3-4/h1-2,4H,3H2,(H3,6,7)/t4-/m1/s1.
What are the key properties of [(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl] carbamimidothioate?
[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl] carbamimidothioate has a molecular weight of 192.27 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl] carbamimidothioate is sourced from PubChem (CID 51421535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).