[4-(5-methylidenedithiol-3-yl)phenyl] N-methylcarbamate

C12H11NO2S2 — CID 143334800

IUPAC[4-(5-methylidenedithiol-3-yl)phenyl] N-methylcarbamate
SMILESC=C1C=C(c2ccc(OC(=O)NC)cc2)SS1
InChIInChI=1S/C12H11NO2S2/c1-8-7-11(17-16-8)9-3-5-10(6-4-9)15-12(14)13-2/h3-7H,1H2,2H3,(H,13,14)
InChIKeyZLOHCMREGPIBDG-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.65
Rot. Bonds2

About [4-(5-methylidenedithiol-3-yl)phenyl] N-methylcarbamate

[4-(5-methylidenedithiol-3-yl)phenyl] N-methylcarbamate (PubChem CID 143334800) has the molecular formula C12H11NO2S2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [4-(5-methylidenedithiol-3-yl)phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[4-(5-methylidenedithiol-3-yl)phenyl] N-methylcarbamate
PubChem CID143334800
Molecular FormulaC12H11NO2S2
Molecular Weight265.36 g/mol
Exact Mass265.02
IUPAC Name[4-(5-methylidenedithiol-3-yl)phenyl] N-methylcarbamate
SMILESC=C1C=C(c2ccc(OC(=O)NC)cc2)SS1
InChIInChI=1S/C12H11NO2S2/c1-8-7-11(17-16-8)9-3-5-10(6-4-9)15-12(14)13-2/h3-7H,1H2,2H3,(H,13,14)
InChIKeyZLOHCMREGPIBDG-UHFFFAOYSA-N
XLogP3.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.65
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

[4-[2-(trifluoromethyl)phenyl]phenyl] N-methylcarbamate
CID 91138505
[4-(difluoromethoxy)phenyl] N-methylcarbamate
CID 165349276
[4-(4-hydroxybenzoyl)phenyl] N-methylcarbamate
CID 117058910
[4-(carbamoylamino)phenyl] N-methylcarbamate
CID 134123032
[4-(dimethylamino)phenyl] N-methylcarbamate;iodomethane
CID 23618192
diethyl-methyl-[4-(methylcarbamoyloxy)phenyl]phosphanium
CID 6332717
[4-[(dimethylamino)methyl]phenyl] N-methylcarbamate;hydrochloride
CID 138400728
(4-docosoxyphenyl) N-methylcarbamate
CID 172715138
[4-(2,2-dichloro-1,1-difluoroethoxy)phenyl] N-methylcarbamate
CID 154400545
(3,5-dimethylphenyl) N-methylcarbamate
CID 17563
[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate iodide
CID 46889708
[4-[1-(4-chlorophenyl)-1-hydroxypropyl]phenyl] N-methylcarbamate
CID 14727335

Frequently Asked Questions

What is the IUPAC name of [4-(5-methylidenedithiol-3-yl)phenyl] N-methylcarbamate?
The IUPAC name of [4-(5-methylidenedithiol-3-yl)phenyl] N-methylcarbamate (CID 143334800) is [4-(5-methylidenedithiol-3-yl)phenyl] N-methylcarbamate.
What is the SMILES notation for [4-(5-methylidenedithiol-3-yl)phenyl] N-methylcarbamate?
The canonical SMILES for [4-(5-methylidenedithiol-3-yl)phenyl] N-methylcarbamate is C=C1C=C(c2ccc(OC(=O)NC)cc2)SS1.
What is the InChIKey of [4-(5-methylidenedithiol-3-yl)phenyl] N-methylcarbamate?
The InChIKey is ZLOHCMREGPIBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S2/c1-8-7-11(17-16-8)9-3-5-10(6-4-9)15-12(14)13-2/h3-7H,1H2,2H3,(H,13,14).
What are the key properties of [4-(5-methylidenedithiol-3-yl)phenyl] N-methylcarbamate?
[4-(5-methylidenedithiol-3-yl)phenyl] N-methylcarbamate has a molecular weight of 265.36 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylidenedithiol-3-yl)phenyl] N-methylcarbamate is sourced from PubChem (CID 143334800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).