[(2,4-dichlorophenyl)disulfanyl]carbamic acid

C7H5Cl2NO2S2 — CID 88842304

IUPAC[(2,4-dichlorophenyl)disulfanyl]carbamic acid
SMILESO=C(O)NSSc1ccc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl2NO2S2/c8-4-1-2-6(5(9)3-4)13-14-10-7(11)12/h1-3,10H,(H,11,12)
InChIKeyMMVISRSTAAKKPI-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.92
Rot. Bonds3

About [(2,4-dichlorophenyl)disulfanyl]carbamic acid

[(2,4-dichlorophenyl)disulfanyl]carbamic acid (PubChem CID 88842304) has the molecular formula C7H5Cl2NO2S2 and a molecular weight of 270.16 g/mol. Its IUPAC name is [(2,4-dichlorophenyl)disulfanyl]carbamic acid.

Molecular Properties

Compound Name[(2,4-dichlorophenyl)disulfanyl]carbamic acid
PubChem CID88842304
Molecular FormulaC7H5Cl2NO2S2
Molecular Weight270.16 g/mol
Exact Mass268.91
IUPAC Name[(2,4-dichlorophenyl)disulfanyl]carbamic acid
SMILESO=C(O)NSSc1ccc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl2NO2S2/c8-4-1-2-6(5(9)3-4)13-14-10-7(11)12/h1-3,10H,(H,11,12)
InChIKeyMMVISRSTAAKKPI-UHFFFAOYSA-N
XLogP3.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2,4-dichlorophenyl)disulfanyl]carbamic acid?
The IUPAC name of [(2,4-dichlorophenyl)disulfanyl]carbamic acid (CID 88842304) is [(2,4-dichlorophenyl)disulfanyl]carbamic acid.
What is the SMILES notation for [(2,4-dichlorophenyl)disulfanyl]carbamic acid?
The canonical SMILES for [(2,4-dichlorophenyl)disulfanyl]carbamic acid is O=C(O)NSSc1ccc(Cl)cc1Cl.
What is the InChIKey of [(2,4-dichlorophenyl)disulfanyl]carbamic acid?
The InChIKey is MMVISRSTAAKKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO2S2/c8-4-1-2-6(5(9)3-4)13-14-10-7(11)12/h1-3,10H,(H,11,12).
What are the key properties of [(2,4-dichlorophenyl)disulfanyl]carbamic acid?
[(2,4-dichlorophenyl)disulfanyl]carbamic acid has a molecular weight of 270.16 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,4-dichlorophenyl)disulfanyl]carbamic acid is sourced from PubChem (CID 88842304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).