methanol;methyl carbamimidothioate

C3H10N2OS — CID 174859349

IUPACmethanol;methyl carbamimidothioate
SMILESCO.[H]/N=C(/N)SC
InChIInChI=1S/C2H6N2S.CH4O/c1-5-2(3)4;1-2/h1H3,(H3,3,4);2H,1H3
InChIKeyZSOBJHBAQCUQGK-UHFFFAOYSA-N
MW122.19 g/mol
LogP-0.15
Rot. Bonds

About methanol;methyl carbamimidothioate

methanol;methyl carbamimidothioate (PubChem CID 174859349) has the molecular formula C3H10N2OS and a molecular weight of 122.19 g/mol. Its IUPAC name is methanol;methyl carbamimidothioate.

Molecular Properties

Compound Namemethanol;methyl carbamimidothioate
PubChem CID174859349
Molecular FormulaC3H10N2OS
Molecular Weight122.19 g/mol
Exact Mass122.05
IUPAC Namemethanol;methyl carbamimidothioate
SMILESCO.[H]/N=C(/N)SC
InChIInChI=1S/C2H6N2S.CH4O/c1-5-2(3)4;1-2/h1H3,(H3,3,4);2H,1H3
InChIKeyZSOBJHBAQCUQGK-UHFFFAOYSA-N
XLogP-0.15
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.19
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

formic acid;methyl carbamimidothioate
CID 174666665
methyl carbamimidothioate sulfate
CID 21115369
methyl carbamimidothioate;methyl dihydrogen phosphate
CID 71427265
chloro carbamimidothioate
CID 18343918
1-hydroxyethyl carbamimidothioate
CID 19790650
methyl 3-amino-3-methylsulfanylprop-2-enimidothioate
CID 71329952
2-carbamimidoylsulfanylethyl carbamimidothioate dibromide
CID 21236844
methyl ethanimidothioate
CID 11063866
diethylamino carbamimidothioate
CID 150672917
carbamimidoyl N,N-dimethylcarbamimidothioate
CID 55291171
(4-carbamimidoylsulfanyl-1-ethyl-2,5-dioxopyrrol-3-yl) carbamimidothioate
CID 134094475
(1-amino-1-iminopropan-2-yl) carbamimidothioate;dihydrochloride
CID 131862948

Frequently Asked Questions

What is the IUPAC name of methanol;methyl carbamimidothioate?
The IUPAC name of methanol;methyl carbamimidothioate (CID 174859349) is methanol;methyl carbamimidothioate.
What is the SMILES notation for methanol;methyl carbamimidothioate?
The canonical SMILES for methanol;methyl carbamimidothioate is CO.[H]/N=C(/N)SC.
What is the InChIKey of methanol;methyl carbamimidothioate?
The InChIKey is ZSOBJHBAQCUQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2S.CH4O/c1-5-2(3)4;1-2/h1H3,(H3,3,4);2H,1H3.
What are the key properties of methanol;methyl carbamimidothioate?
methanol;methyl carbamimidothioate has a molecular weight of 122.19 g/mol, XLogP of -0.15, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methyl carbamimidothioate is sourced from PubChem (CID 174859349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).