methyl (C-methoxycarbonimidoyl)sulfanylmethanimidate

C4H8N2O2S — CID 86182847

IUPACmethyl (C-methoxycarbonimidoyl)sulfanylmethanimidate
SMILES[H]/N=C(\OC)S/C(=N/[H])OC
InChIInChI=1S/C4H8N2O2S/c1-7-3(5)9-4(6)8-2/h5-6H,1-2H3/b5-3+,6-4+
InChIKeyUPHNVHUIVCFSSJ-GGWOSOGESA-N
MW148.19 g/mol
LogP0.88
Rot. Bonds

About methyl (C-methoxycarbonimidoyl)sulfanylmethanimidate

methyl (C-methoxycarbonimidoyl)sulfanylmethanimidate (PubChem CID 86182847) has the molecular formula C4H8N2O2S and a molecular weight of 148.19 g/mol. Its IUPAC name is methyl (C-methoxycarbonimidoyl)sulfanylmethanimidate.

Molecular Properties

Compound Namemethyl (C-methoxycarbonimidoyl)sulfanylmethanimidate
PubChem CID86182847
Molecular FormulaC4H8N2O2S
Molecular Weight148.19 g/mol
Exact Mass148.03
IUPAC Namemethyl (C-methoxycarbonimidoyl)sulfanylmethanimidate
SMILES[H]/N=C(\OC)S/C(=N/[H])OC
InChIInChI=1S/C4H8N2O2S/c1-7-3(5)9-4(6)8-2/h5-6H,1-2H3/b5-3+,6-4+
InChIKeyUPHNVHUIVCFSSJ-GGWOSOGESA-N
XLogP0.88
TPSA66.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (C-methoxycarbonimidoyl)sulfanylmethanimidate?
The IUPAC name of methyl (C-methoxycarbonimidoyl)sulfanylmethanimidate (CID 86182847) is methyl (C-methoxycarbonimidoyl)sulfanylmethanimidate.
What is the SMILES notation for methyl (C-methoxycarbonimidoyl)sulfanylmethanimidate?
The canonical SMILES for methyl (C-methoxycarbonimidoyl)sulfanylmethanimidate is [H]/N=C(\OC)S/C(=N/[H])OC.
What is the InChIKey of methyl (C-methoxycarbonimidoyl)sulfanylmethanimidate?
The InChIKey is UPHNVHUIVCFSSJ-GGWOSOGESA-N. The full InChI is InChI=1S/C4H8N2O2S/c1-7-3(5)9-4(6)8-2/h5-6H,1-2H3/b5-3+,6-4+.
What are the key properties of methyl (C-methoxycarbonimidoyl)sulfanylmethanimidate?
methyl (C-methoxycarbonimidoyl)sulfanylmethanimidate has a molecular weight of 148.19 g/mol, XLogP of 0.88, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (C-methoxycarbonimidoyl)sulfanylmethanimidate is sourced from PubChem (CID 86182847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).