carbonic acid;N-methyl-N-thionitrosomethanamine

C3H8N2O3S — CID 174593048

IUPACcarbonic acid;N-methyl-N-thionitrosomethanamine
SMILESCN(C)N=S.O=C(O)O
InChIInChI=1S/C2H6N2S.CH2O3/c1-4(2)3-5;2-1(3)4/h1-2H3;(H2,2,3,4)
InChIKeyXXNDEAXRNXJCCI-UHFFFAOYSA-N
MW152.18 g/mol
LogP0.42
Rot. Bonds1

About carbonic acid;N-methyl-N-thionitrosomethanamine

carbonic acid;N-methyl-N-thionitrosomethanamine (PubChem CID 174593048) has the molecular formula C3H8N2O3S and a molecular weight of 152.18 g/mol. Its IUPAC name is carbonic acid;N-methyl-N-thionitrosomethanamine.

Molecular Properties

Compound Namecarbonic acid;N-methyl-N-thionitrosomethanamine
PubChem CID174593048
Molecular FormulaC3H8N2O3S
Molecular Weight152.18 g/mol
Exact Mass152.03
IUPAC Namecarbonic acid;N-methyl-N-thionitrosomethanamine
SMILESCN(C)N=S.O=C(O)O
InChIInChI=1S/C2H6N2S.CH2O3/c1-4(2)3-5;2-1(3)4/h1-2H3;(H2,2,3,4)
InChIKeyXXNDEAXRNXJCCI-UHFFFAOYSA-N
XLogP0.42
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;N-methyl-N-thionitrosomethanamine?
The IUPAC name of carbonic acid;N-methyl-N-thionitrosomethanamine (CID 174593048) is carbonic acid;N-methyl-N-thionitrosomethanamine.
What is the SMILES notation for carbonic acid;N-methyl-N-thionitrosomethanamine?
The canonical SMILES for carbonic acid;N-methyl-N-thionitrosomethanamine is CN(C)N=S.O=C(O)O.
What is the InChIKey of carbonic acid;N-methyl-N-thionitrosomethanamine?
The InChIKey is XXNDEAXRNXJCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2S.CH2O3/c1-4(2)3-5;2-1(3)4/h1-2H3;(H2,2,3,4).
What are the key properties of carbonic acid;N-methyl-N-thionitrosomethanamine?
carbonic acid;N-methyl-N-thionitrosomethanamine has a molecular weight of 152.18 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;N-methyl-N-thionitrosomethanamine is sourced from PubChem (CID 174593048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).