methyl N-[4-(chlorodisulfanyl)phenyl]carbamate

C8H8ClNO2S2 — CID 22301634

IUPACmethyl N-[4-(chlorodisulfanyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(SSCl)cc1
InChIInChI=1S/C8H8ClNO2S2/c1-12-8(11)10-6-2-4-7(5-3-6)13-14-9/h2-5H,1H3,(H,10,11)
InChIKeyGJOKLVDRMGZHOC-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.76
Rot. Bonds3

About methyl N-[4-(chlorodisulfanyl)phenyl]carbamate

methyl N-[4-(chlorodisulfanyl)phenyl]carbamate (PubChem CID 22301634) has the molecular formula C8H8ClNO2S2 and a molecular weight of 249.74 g/mol. Its IUPAC name is methyl N-[4-(chlorodisulfanyl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(chlorodisulfanyl)phenyl]carbamate
PubChem CID22301634
Molecular FormulaC8H8ClNO2S2
Molecular Weight249.74 g/mol
Exact Mass248.97
IUPAC Namemethyl N-[4-(chlorodisulfanyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(SSCl)cc1
InChIInChI=1S/C8H8ClNO2S2/c1-12-8(11)10-6-2-4-7(5-3-6)13-14-9/h2-5H,1H3,(H,10,11)
InChIKeyGJOKLVDRMGZHOC-UHFFFAOYSA-N
XLogP3.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(4-sulfanylphenyl)carbamate
CID 603048
(4-nitrophenyl)methyl N-[4-(chlorodisulfanyl)phenyl]carbamate
CID 21150662
methyl N-[4-(2-chloropropanoylamino)phenyl]carbamate
CID 43701229
methyl N-[4-(hydroxymethyl)phenyl]carbamate
CID 64793961
methyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 110777023
methyl N-(4-pyrrol-1-ylphenyl)carbamate
CID 110726346
butane;methyl N-(4-methylphenyl)carbamate
CID 155739087
methyl N-(4-azidophenyl)carbamate
CID 142621312
methyl N-[4-(3,3-dimethoxypropoxy)phenyl]carbamate
CID 58941158
CID 68594224
CID 68594224
methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate
CID 81490095
methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate
CID 67274992

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(chlorodisulfanyl)phenyl]carbamate?
The IUPAC name of methyl N-[4-(chlorodisulfanyl)phenyl]carbamate (CID 22301634) is methyl N-[4-(chlorodisulfanyl)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(chlorodisulfanyl)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(chlorodisulfanyl)phenyl]carbamate is COC(=O)Nc1ccc(SSCl)cc1.
What is the InChIKey of methyl N-[4-(chlorodisulfanyl)phenyl]carbamate?
The InChIKey is GJOKLVDRMGZHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2S2/c1-12-8(11)10-6-2-4-7(5-3-6)13-14-9/h2-5H,1H3,(H,10,11).
What are the key properties of methyl N-[4-(chlorodisulfanyl)phenyl]carbamate?
methyl N-[4-(chlorodisulfanyl)phenyl]carbamate has a molecular weight of 249.74 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(chlorodisulfanyl)phenyl]carbamate is sourced from PubChem (CID 22301634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).