methyl N'-carbamothioylcarbamimidothioate;hydroiodide

C3H8IN3S2 — CID 73447757

IUPACmethyl N'-carbamothioylcarbamimidothioate;hydroiodide
SMILESCSC(N)=NC(N)=S.I
InChIInChI=1S/C3H7N3S2.HI/c1-8-3(5)6-2(4)7;/h1H3,(H4,4,5,6,7);1H
InChIKeyUZMZOHVPZPAVRI-UHFFFAOYSA-N
MW277.16 g/mol
LogP0.53
Rot. Bonds

About methyl N'-carbamothioylcarbamimidothioate;hydroiodide

methyl N'-carbamothioylcarbamimidothioate;hydroiodide (PubChem CID 73447757) has the molecular formula C3H8IN3S2 and a molecular weight of 277.16 g/mol. Its IUPAC name is methyl N'-carbamothioylcarbamimidothioate;hydroiodide.

Molecular Properties

Compound Namemethyl N'-carbamothioylcarbamimidothioate;hydroiodide
PubChem CID73447757
Molecular FormulaC3H8IN3S2
Molecular Weight277.16 g/mol
Exact Mass276.92
IUPAC Namemethyl N'-carbamothioylcarbamimidothioate;hydroiodide
SMILESCSC(N)=NC(N)=S.I
InChIInChI=1S/C3H7N3S2.HI/c1-8-3(5)6-2(4)7;/h1H3,(H4,4,5,6,7);1H
InChIKeyUZMZOHVPZPAVRI-UHFFFAOYSA-N
XLogP0.53
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N'-carbamothioylcarbamimidothioate;hydroiodide?
The IUPAC name of methyl N'-carbamothioylcarbamimidothioate;hydroiodide (CID 73447757) is methyl N'-carbamothioylcarbamimidothioate;hydroiodide.
What is the SMILES notation for methyl N'-carbamothioylcarbamimidothioate;hydroiodide?
The canonical SMILES for methyl N'-carbamothioylcarbamimidothioate;hydroiodide is CSC(N)=NC(N)=S.I.
What is the InChIKey of methyl N'-carbamothioylcarbamimidothioate;hydroiodide?
The InChIKey is UZMZOHVPZPAVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3S2.HI/c1-8-3(5)6-2(4)7;/h1H3,(H4,4,5,6,7);1H.
What are the key properties of methyl N'-carbamothioylcarbamimidothioate;hydroiodide?
methyl N'-carbamothioylcarbamimidothioate;hydroiodide has a molecular weight of 277.16 g/mol, XLogP of 0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-carbamothioylcarbamimidothioate;hydroiodide is sourced from PubChem (CID 73447757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).