N'-(phenyldisulfanyl)oxamide

C8H8N2O2S2 — CID 19891866

IUPACN'-(phenyldisulfanyl)oxamide
SMILESNC(=O)C(=O)NSSc1ccccc1
InChIInChI=1S/C8H8N2O2S2/c9-7(11)8(12)10-14-13-6-4-2-1-3-5-6/h1-5H,(H2,9,11)(H,10,12)
InChIKeyXVQYFUXBVHLNBC-UHFFFAOYSA-N
MW228.30 g/mol
LogP0.94
Rot. Bonds3

About N'-(phenyldisulfanyl)oxamide

N'-(phenyldisulfanyl)oxamide (PubChem CID 19891866) has the molecular formula C8H8N2O2S2 and a molecular weight of 228.30 g/mol. Its IUPAC name is N'-(phenyldisulfanyl)oxamide.

Molecular Properties

Compound NameN'-(phenyldisulfanyl)oxamide
PubChem CID19891866
Molecular FormulaC8H8N2O2S2
Molecular Weight228.30 g/mol
Exact Mass228.00
IUPAC NameN'-(phenyldisulfanyl)oxamide
SMILESNC(=O)C(=O)NSSc1ccccc1
InChIInChI=1S/C8H8N2O2S2/c9-7(11)8(12)10-14-13-6-4-2-1-3-5-6/h1-5H,(H2,9,11)(H,10,12)
InChIKeyXVQYFUXBVHLNBC-UHFFFAOYSA-N
XLogP0.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-(phenyldisulfanyl)carbamate
CID 88680071
phenylsulfanylurea
CID 22219022
phenylsulfanylbenzene;urea
CID 161199097
N'-benzyloxamide
CID 561416
2-methyl-N-phenylsulfanylpropanamide
CID 134920552
oxamide;phenol
CID 21277500
(N'-phenylsulfanylcarbamimidoyl)urea
CID 154427424
(phenyldisulfanyl)methyl benzoate
CID 102400247
2-phenylsulfanylacetohydrazide
CID 7037418
carbamic acid;naphthalene
CID 162082147
2-aminoacetic acid;1,1'-biphenyl
CID 22134128
acetic acid;guanidine;phenyl thiohypofluorite
CID 174475552

Frequently Asked Questions

What is the IUPAC name of N'-(phenyldisulfanyl)oxamide?
The IUPAC name of N'-(phenyldisulfanyl)oxamide (CID 19891866) is N'-(phenyldisulfanyl)oxamide.
What is the SMILES notation for N'-(phenyldisulfanyl)oxamide?
The canonical SMILES for N'-(phenyldisulfanyl)oxamide is NC(=O)C(=O)NSSc1ccccc1.
What is the InChIKey of N'-(phenyldisulfanyl)oxamide?
The InChIKey is XVQYFUXBVHLNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S2/c9-7(11)8(12)10-14-13-6-4-2-1-3-5-6/h1-5H,(H2,9,11)(H,10,12).
What are the key properties of N'-(phenyldisulfanyl)oxamide?
N'-(phenyldisulfanyl)oxamide has a molecular weight of 228.30 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(phenyldisulfanyl)oxamide is sourced from PubChem (CID 19891866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).