[hydroxy-(imino-λ4-sulfanylidene)methyl] carbamimidothioate

C2H5N3OS2 — CID 150828738

IUPAC[hydroxy-(imino-λ4-sulfanylidene)methyl] carbamimidothioate
SMILES[H]/N=C(\N)SC(O)=S=N
InChIInChI=1S/C2H5N3OS2/c3-1(4)7-2(6)8-5/h5-6H,(H3,3,4)
InChIKeyKLMNQEPSEHRITG-UHFFFAOYSA-N
MW151.22 g/mol
LogP0.10
Rot. Bonds

About [hydroxy-(imino-λ4-sulfanylidene)methyl] carbamimidothioate

[hydroxy-(imino-λ4-sulfanylidene)methyl] carbamimidothioate (PubChem CID 150828738) has the molecular formula C2H5N3OS2 and a molecular weight of 151.22 g/mol. Its IUPAC name is [hydroxy-(imino-λ4-sulfanylidene)methyl] carbamimidothioate.

Molecular Properties

Compound Name[hydroxy-(imino-λ4-sulfanylidene)methyl] carbamimidothioate
PubChem CID150828738
Molecular FormulaC2H5N3OS2
Molecular Weight151.22 g/mol
Exact Mass150.99
IUPAC Name[hydroxy-(imino-λ4-sulfanylidene)methyl] carbamimidothioate
SMILES[H]/N=C(\N)SC(O)=S=N
InChIInChI=1S/C2H5N3OS2/c3-1(4)7-2(6)8-5/h5-6H,(H3,3,4)
InChIKeyKLMNQEPSEHRITG-UHFFFAOYSA-N
XLogP0.10
TPSA93.95 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.22
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbamimidoyl N,N-dimethylcarbamimidothioate
CID 55291171
chloro carbamimidothioate
CID 18343918
methanol;methyl carbamimidothioate
CID 174859349
2-carbamimidoylsulfanylethyl carbamimidothioate dibromide
CID 21236844
S-carbamimidoyl N-phenylcarbamothioate
CID 87475883
2-carbamimidoylsulfanylethyl carbamimidothioate;2,2,2-trifluoroacetic acid
CID 54607664
carbamimidoyl N'-benzylcarbamimidothioate;hydrochloride
CID 68882563
carbamimidoyl 4-fluorobenzenecarboximidothioate
CID 130296275
hydroxy 1-carbamimidoylsulfanyl-N-propan-2-ylmethanimidate
CID 172757211
1-hydroxyethyl carbamimidothioate
CID 19790650
(E)-3-carbamimidoylsulfanylprop-2-enoic acid;hydrobromide
CID 167713305
[(E)-3-oxobut-1-enyl] carbamimidothioate
CID 12948459

Frequently Asked Questions

What is the IUPAC name of [hydroxy-(imino-λ4-sulfanylidene)methyl] carbamimidothioate?
The IUPAC name of [hydroxy-(imino-λ4-sulfanylidene)methyl] carbamimidothioate (CID 150828738) is [hydroxy-(imino-λ4-sulfanylidene)methyl] carbamimidothioate.
What is the SMILES notation for [hydroxy-(imino-λ4-sulfanylidene)methyl] carbamimidothioate?
The canonical SMILES for [hydroxy-(imino-λ4-sulfanylidene)methyl] carbamimidothioate is [H]/N=C(\N)SC(O)=S=N.
What is the InChIKey of [hydroxy-(imino-λ4-sulfanylidene)methyl] carbamimidothioate?
The InChIKey is KLMNQEPSEHRITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N3OS2/c3-1(4)7-2(6)8-5/h5-6H,(H3,3,4).
What are the key properties of [hydroxy-(imino-λ4-sulfanylidene)methyl] carbamimidothioate?
[hydroxy-(imino-λ4-sulfanylidene)methyl] carbamimidothioate has a molecular weight of 151.22 g/mol, XLogP of 0.10, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-(imino-λ4-sulfanylidene)methyl] carbamimidothioate is sourced from PubChem (CID 150828738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).