N-(chloromethyl)-N-sulfanylformamide

C2H4ClNOS — CID 88711895

IUPACN-(chloromethyl)-N-sulfanylformamide
SMILESO=CN(S)CCl
InChIInChI=1S/C2H4ClNOS/c3-1-4(6)2-5/h2,6H,1H2
InChIKeyNHKACAOVKQXPKS-UHFFFAOYSA-N
MW125.58 g/mol
LogP0.49
Rot. Bonds2

About N-(chloromethyl)-N-sulfanylformamide

N-(chloromethyl)-N-sulfanylformamide (PubChem CID 88711895) has the molecular formula C2H4ClNOS and a molecular weight of 125.58 g/mol. Its IUPAC name is N-(chloromethyl)-N-sulfanylformamide.

Molecular Properties

Compound NameN-(chloromethyl)-N-sulfanylformamide
PubChem CID88711895
Molecular FormulaC2H4ClNOS
Molecular Weight125.58 g/mol
Exact Mass124.97
IUPAC NameN-(chloromethyl)-N-sulfanylformamide
SMILESO=CN(S)CCl
InChIInChI=1S/C2H4ClNOS/c3-1-4(6)2-5/h2,6H,1H2
InChIKeyNHKACAOVKQXPKS-UHFFFAOYSA-N
XLogP0.49
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.58
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-formylaminosulfenyl chloride
CID 12819418
N-methyl-N-sulfanylformamide chloride
CID 23317739

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-N-sulfanylformamide?
The IUPAC name of N-(chloromethyl)-N-sulfanylformamide (CID 88711895) is N-(chloromethyl)-N-sulfanylformamide.
What is the SMILES notation for N-(chloromethyl)-N-sulfanylformamide?
The canonical SMILES for N-(chloromethyl)-N-sulfanylformamide is O=CN(S)CCl.
What is the InChIKey of N-(chloromethyl)-N-sulfanylformamide?
The InChIKey is NHKACAOVKQXPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4ClNOS/c3-1-4(6)2-5/h2,6H,1H2.
What are the key properties of N-(chloromethyl)-N-sulfanylformamide?
N-(chloromethyl)-N-sulfanylformamide has a molecular weight of 125.58 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-N-sulfanylformamide is sourced from PubChem (CID 88711895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).