methyl N'-(dihydroxyamino)carbamimidothioate

C2H7N3O2S — CID 4542680

IUPACmethyl N'-(dihydroxyamino)carbamimidothioate
SMILESCSC(N)=NN(O)O
InChIInChI=1S/C2H7N3O2S/c1-8-2(3)4-5(6)7/h6-7H,1H3,(H2,3,4)
InChIKeyBFPNKXHRCVOBBG-UHFFFAOYSA-N
MW137.16 g/mol
LogP-0.34
Rot. Bonds1

About methyl N'-(dihydroxyamino)carbamimidothioate

methyl N'-(dihydroxyamino)carbamimidothioate (PubChem CID 4542680) has the molecular formula C2H7N3O2S and a molecular weight of 137.16 g/mol. Its IUPAC name is methyl N'-(dihydroxyamino)carbamimidothioate.

Molecular Properties

Compound Namemethyl N'-(dihydroxyamino)carbamimidothioate
PubChem CID4542680
Molecular FormulaC2H7N3O2S
Molecular Weight137.16 g/mol
Exact Mass137.03
IUPAC Namemethyl N'-(dihydroxyamino)carbamimidothioate
SMILESCSC(N)=NN(O)O
InChIInChI=1S/C2H7N3O2S/c1-8-2(3)4-5(6)7/h6-7H,1H3,(H2,3,4)
InChIKeyBFPNKXHRCVOBBG-UHFFFAOYSA-N
XLogP-0.34
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl N'-(dihydroxyamino)carbamimidothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hydron;methyl N'-aminocarbamimidothioate;iodide
CID 90229300
methyl N'-carbamothioylcarbamimidothioate
CID 11744796
methyl N'-ethylcarbamimidothioate;hydrochloride
CID 158305401
methyl N'-methylsulfonylcarbamimidothioate
CID 10654681
methyl N'-sulfamoylcarbamimidothioate
CID 86147614
methyl N'-[(E)-2-(dimethylamino)ethenyl]carbamimidothioate
CID 76851920
methyl N'-cyclopropylcarbamimidothioate;hydroiodide
CID 18622014
methyl N'-ethylphosphanylcarbamimidothioate
CID 123428742
methyl N'-prop-2-ynylcarbamimidothioate
CID 86157299
methyl (NE)-N-[amino(methylsulfanyl)methylidene]carbamate
CID 6509661
methyl N'-(2-aminoethanethioyl)carbamimidothioate
CID 166686871
methyl N'-[(Z)-but-1-enyl]carbamimidothioate
CID 144920980

Frequently Asked Questions

What is the IUPAC name of methyl N'-(dihydroxyamino)carbamimidothioate?
The IUPAC name of methyl N'-(dihydroxyamino)carbamimidothioate (CID 4542680) is methyl N'-(dihydroxyamino)carbamimidothioate.
What is the SMILES notation for methyl N'-(dihydroxyamino)carbamimidothioate?
The canonical SMILES for methyl N'-(dihydroxyamino)carbamimidothioate is CSC(N)=NN(O)O.
What is the InChIKey of methyl N'-(dihydroxyamino)carbamimidothioate?
The InChIKey is BFPNKXHRCVOBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N3O2S/c1-8-2(3)4-5(6)7/h6-7H,1H3,(H2,3,4).
What are the key properties of methyl N'-(dihydroxyamino)carbamimidothioate?
methyl N'-(dihydroxyamino)carbamimidothioate has a molecular weight of 137.16 g/mol, XLogP of -0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-(dihydroxyamino)carbamimidothioate is sourced from PubChem (CID 4542680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).