N-sulfanyl-N-(sulfanylmethyl)formamide

C2H5NOS2 — CID 142755583

IUPACN-sulfanyl-N-(sulfanylmethyl)formamide
SMILESO=CN(S)CS
InChIInChI=1S/C2H5NOS2/c4-1-3(6)2-5/h1,5-6H,2H2
InChIKeySGSCDVLAIMUSPL-UHFFFAOYSA-N
MW123.20 g/mol
LogP0.18
Rot. Bonds2

About N-sulfanyl-N-(sulfanylmethyl)formamide

N-sulfanyl-N-(sulfanylmethyl)formamide (PubChem CID 142755583) has the molecular formula C2H5NOS2 and a molecular weight of 123.20 g/mol. Its IUPAC name is N-sulfanyl-N-(sulfanylmethyl)formamide.

Molecular Properties

Compound NameN-sulfanyl-N-(sulfanylmethyl)formamide
PubChem CID142755583
Molecular FormulaC2H5NOS2
Molecular Weight123.20 g/mol
Exact Mass122.98
IUPAC NameN-sulfanyl-N-(sulfanylmethyl)formamide
SMILESO=CN(S)CS
InChIInChI=1S/C2H5NOS2/c4-1-3(6)2-5/h1,5-6H,2H2
InChIKeySGSCDVLAIMUSPL-UHFFFAOYSA-N
XLogP0.18
TPSA20.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-sulfanyl-N-(sulfanylmethyl)formamide?
The IUPAC name of N-sulfanyl-N-(sulfanylmethyl)formamide (CID 142755583) is N-sulfanyl-N-(sulfanylmethyl)formamide.
What is the SMILES notation for N-sulfanyl-N-(sulfanylmethyl)formamide?
The canonical SMILES for N-sulfanyl-N-(sulfanylmethyl)formamide is O=CN(S)CS.
What is the InChIKey of N-sulfanyl-N-(sulfanylmethyl)formamide?
The InChIKey is SGSCDVLAIMUSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NOS2/c4-1-3(6)2-5/h1,5-6H,2H2.
What are the key properties of N-sulfanyl-N-(sulfanylmethyl)formamide?
N-sulfanyl-N-(sulfanylmethyl)formamide has a molecular weight of 123.20 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-sulfanyl-N-(sulfanylmethyl)formamide is sourced from PubChem (CID 142755583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).