phenyl N-(propan-2-ylcarbamothioyl)carbamate

C11H14N2O2S — CID 21284116

IUPACphenyl N-(propan-2-ylcarbamothioyl)carbamate
SMILESCC(C)NC(=S)NC(=O)Oc1ccccc1
InChIInChI=1S/C11H14N2O2S/c1-8(2)12-10(16)13-11(14)15-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,12,13,14,16)
InChIKeyVYGIXVVGPRNJAC-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.06
Rot. Bonds2

About phenyl N-(propan-2-ylcarbamothioyl)carbamate

phenyl N-(propan-2-ylcarbamothioyl)carbamate (PubChem CID 21284116) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is phenyl N-(propan-2-ylcarbamothioyl)carbamate.

Molecular Properties

Compound Namephenyl N-(propan-2-ylcarbamothioyl)carbamate
PubChem CID21284116
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Namephenyl N-(propan-2-ylcarbamothioyl)carbamate
SMILESCC(C)NC(=S)NC(=O)Oc1ccccc1
InChIInChI=1S/C11H14N2O2S/c1-8(2)12-10(16)13-11(14)15-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,12,13,14,16)
InChIKeyVYGIXVVGPRNJAC-UHFFFAOYSA-N
XLogP2.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(3-phenylphenyl) N-propan-2-ylcarbamate
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1-diphenoxyphosphoryl-3-propan-2-ylthiourea
CID 139197223
phenyl N-benzoylcarbamate
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phenyl N-(propanoylcarbamoyl)carbamate
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phenyl N-(phenoxycarbonylamino)carbamate
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phenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate
CID 61124407
phenyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
CID 18972767
(3,5-diphenylphenyl) N-propan-2-ylcarbamate
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phenyl N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]carbamate
CID 2820524

Frequently Asked Questions

What is the IUPAC name of phenyl N-(propan-2-ylcarbamothioyl)carbamate?
The IUPAC name of phenyl N-(propan-2-ylcarbamothioyl)carbamate (CID 21284116) is phenyl N-(propan-2-ylcarbamothioyl)carbamate.
What is the SMILES notation for phenyl N-(propan-2-ylcarbamothioyl)carbamate?
The canonical SMILES for phenyl N-(propan-2-ylcarbamothioyl)carbamate is CC(C)NC(=S)NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(propan-2-ylcarbamothioyl)carbamate?
The InChIKey is VYGIXVVGPRNJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-8(2)12-10(16)13-11(14)15-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,12,13,14,16).
What are the key properties of phenyl N-(propan-2-ylcarbamothioyl)carbamate?
phenyl N-(propan-2-ylcarbamothioyl)carbamate has a molecular weight of 238.31 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(propan-2-ylcarbamothioyl)carbamate is sourced from PubChem (CID 21284116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).