phenyl N-sulfanylidenecarbamate

C7H5NO2S — CID 13221372

IUPACphenyl N-sulfanylidenecarbamate
SMILESO=C(N=S)Oc1ccccc1
InChIInChI=1S/C7H5NO2S/c9-7(8-11)10-6-4-2-1-3-5-6/h1-5H
InChIKeyLHUNTIHZLBVJKW-UHFFFAOYSA-N
MW167.19 g/mol
LogP1.92
Rot. Bonds1

About phenyl N-sulfanylidenecarbamate

phenyl N-sulfanylidenecarbamate (PubChem CID 13221372) has the molecular formula C7H5NO2S and a molecular weight of 167.19 g/mol. Its IUPAC name is phenyl N-sulfanylidenecarbamate.

Molecular Properties

Compound Namephenyl N-sulfanylidenecarbamate
PubChem CID13221372
Molecular FormulaC7H5NO2S
Molecular Weight167.19 g/mol
Exact Mass167.00
IUPAC Namephenyl N-sulfanylidenecarbamate
SMILESO=C(N=S)Oc1ccccc1
InChIInChI=1S/C7H5NO2S/c9-7(8-11)10-6-4-2-1-3-5-6/h1-5H
InChIKeyLHUNTIHZLBVJKW-UHFFFAOYSA-N
XLogP1.92
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenoxycarbonyliminocarbamic acid
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phenyl N-ethylidenecarbamate
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phenyl (NZ)-N-(1-aminoethylidene)carbamate
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phenyl (NE)-N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate
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diphenyl oxalate;ethane
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iron;phenyl carbonochloridate
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phenyl N-(phenoxycarbonylamino)carbamate
CID 14365715
azanium phenyl carbonate
CID 21418846
disodium phenyl carbonate
CID 175143803
aluminum phenyl carbonate
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phenyl acetate;hydroiodide
CID 172788123
phenyl hydrogen carbonate;sulfur dioxide
CID 67864453

Frequently Asked Questions

What is the IUPAC name of phenyl N-sulfanylidenecarbamate?
The IUPAC name of phenyl N-sulfanylidenecarbamate (CID 13221372) is phenyl N-sulfanylidenecarbamate.
What is the SMILES notation for phenyl N-sulfanylidenecarbamate?
The canonical SMILES for phenyl N-sulfanylidenecarbamate is O=C(N=S)Oc1ccccc1.
What is the InChIKey of phenyl N-sulfanylidenecarbamate?
The InChIKey is LHUNTIHZLBVJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2S/c9-7(8-11)10-6-4-2-1-3-5-6/h1-5H.
What are the key properties of phenyl N-sulfanylidenecarbamate?
phenyl N-sulfanylidenecarbamate has a molecular weight of 167.19 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-sulfanylidenecarbamate is sourced from PubChem (CID 13221372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).