N-methyl-N-sulfanylformamide chloride

C2H5ClNOS- — CID 23317739

IUPACN-methyl-N-sulfanylformamide chloride
SMILESCN(S)C=O.[Cl-]
InChIInChI=1S/C2H5NOS.ClH/c1-3(5)2-4;/h2,5H,1H3;1H/p-1
InChIKeyUNQPXXAXIFDPHV-UHFFFAOYSA-M
MW126.59 g/mol
LogP-3.08
Rot. Bonds1

About N-methyl-N-sulfanylformamide chloride

N-methyl-N-sulfanylformamide chloride (PubChem CID 23317739) has the molecular formula C2H5ClNOS- and a molecular weight of 126.59 g/mol. Its IUPAC name is N-methyl-N-sulfanylformamide chloride.

Molecular Properties

Compound NameN-methyl-N-sulfanylformamide chloride
PubChem CID23317739
Molecular FormulaC2H5ClNOS-
Molecular Weight126.59 g/mol
Exact Mass125.98
IUPAC NameN-methyl-N-sulfanylformamide chloride
SMILESCN(S)C=O.[Cl-]
InChIInChI=1S/C2H5NOS.ClH/c1-3(5)2-4;/h2,5H,1H3;1H/p-1
InChIKeyUNQPXXAXIFDPHV-UHFFFAOYSA-M
XLogP-3.08
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.59
LogP ≤ 5-3.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-sulfanylformamide chloride?
The IUPAC name of N-methyl-N-sulfanylformamide chloride (CID 23317739) is N-methyl-N-sulfanylformamide chloride.
What is the SMILES notation for N-methyl-N-sulfanylformamide chloride?
The canonical SMILES for N-methyl-N-sulfanylformamide chloride is CN(S)C=O.[Cl-].
What is the InChIKey of N-methyl-N-sulfanylformamide chloride?
The InChIKey is UNQPXXAXIFDPHV-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5NOS.ClH/c1-3(5)2-4;/h2,5H,1H3;1H/p-1.
What are the key properties of N-methyl-N-sulfanylformamide chloride?
N-methyl-N-sulfanylformamide chloride has a molecular weight of 126.59 g/mol, XLogP of -3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-sulfanylformamide chloride is sourced from PubChem (CID 23317739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).