2-sulfanyl-N-(sulfanylmethyl)acetamide

C3H7NOS2 — CID 12562710

IUPAC2-sulfanyl-N-(sulfanylmethyl)acetamide
SMILESO=C(CS)NCS
InChIInChI=1S/C3H7NOS2/c5-3(1-6)4-2-7/h6-7H,1-2H2,(H,4,5)
InChIKeyVGDNMVQMFZGCPG-UHFFFAOYSA-N
MW137.23 g/mol
LogP-0.08
Rot. Bonds2

About 2-sulfanyl-N-(sulfanylmethyl)acetamide

2-sulfanyl-N-(sulfanylmethyl)acetamide (PubChem CID 12562710) has the molecular formula C3H7NOS2 and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-sulfanyl-N-(sulfanylmethyl)acetamide.

Molecular Properties

Compound Name2-sulfanyl-N-(sulfanylmethyl)acetamide
PubChem CID12562710
Molecular FormulaC3H7NOS2
Molecular Weight137.23 g/mol
Exact Mass137.00
IUPAC Name2-sulfanyl-N-(sulfanylmethyl)acetamide
SMILESO=C(CS)NCS
InChIInChI=1S/C3H7NOS2/c5-3(1-6)4-2-7/h6-7H,1-2H2,(H,4,5)
InChIKeyVGDNMVQMFZGCPG-UHFFFAOYSA-N
XLogP-0.08
TPSA29.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 2-sulfanyl-N-(sulfanylmethyl)acetamide?
The IUPAC name of 2-sulfanyl-N-(sulfanylmethyl)acetamide (CID 12562710) is 2-sulfanyl-N-(sulfanylmethyl)acetamide.
What is the SMILES notation for 2-sulfanyl-N-(sulfanylmethyl)acetamide?
The canonical SMILES for 2-sulfanyl-N-(sulfanylmethyl)acetamide is O=C(CS)NCS.
What is the InChIKey of 2-sulfanyl-N-(sulfanylmethyl)acetamide?
The InChIKey is VGDNMVQMFZGCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NOS2/c5-3(1-6)4-2-7/h6-7H,1-2H2,(H,4,5).
What are the key properties of 2-sulfanyl-N-(sulfanylmethyl)acetamide?
2-sulfanyl-N-(sulfanylmethyl)acetamide has a molecular weight of 137.23 g/mol, XLogP of -0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-N-(sulfanylmethyl)acetamide is sourced from PubChem (CID 12562710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).