methanethiol;molecular nitrogen

CH4N2S — CID 141225031

IUPACmethanethiol;molecular nitrogen
SMILESCS.N#N
InChIInChI=1S/CH4S.N2/c2*1-2/h2H,1H3;
InChIKeyJMKAOSFXHAAGJD-UHFFFAOYSA-N
MW76.12 g/mol
LogP0.58
Rot. Bonds

About methanethiol;molecular nitrogen

methanethiol;molecular nitrogen (PubChem CID 141225031) has the molecular formula CH4N2S and a molecular weight of 76.12 g/mol. Its IUPAC name is methanethiol;molecular nitrogen.

Molecular Properties

Compound Namemethanethiol;molecular nitrogen
PubChem CID141225031
Molecular FormulaCH4N2S
Molecular Weight76.12 g/mol
Exact Mass76.01
IUPAC Namemethanethiol;molecular nitrogen
SMILESCS.N#N
InChIInChI=1S/CH4S.N2/c2*1-2/h2H,1H3;
InChIKeyJMKAOSFXHAAGJD-UHFFFAOYSA-N
XLogP0.58
TPSA47.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.12
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanethiol;molecular nitrogen?
The IUPAC name of methanethiol;molecular nitrogen (CID 141225031) is methanethiol;molecular nitrogen.
What is the SMILES notation for methanethiol;molecular nitrogen?
The canonical SMILES for methanethiol;molecular nitrogen is CS.N#N.
What is the InChIKey of methanethiol;molecular nitrogen?
The InChIKey is JMKAOSFXHAAGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4S.N2/c2*1-2/h2H,1H3;.
What are the key properties of methanethiol;molecular nitrogen?
methanethiol;molecular nitrogen has a molecular weight of 76.12 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanethiol;molecular nitrogen is sourced from PubChem (CID 141225031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).