O-methyl N-(4-propan-2-ylphenyl)carbamothioate

C11H15NOS — CID 2803934

IUPACO-methyl N-(4-propan-2-ylphenyl)carbamothioate
SMILESCOC(=S)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C11H15NOS/c1-8(2)9-4-6-10(7-5-9)12-11(14)13-3/h4-8H,1-3H3,(H,12,14)
InChIKeyZDFJKZJSCNRRFU-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.15
Rot. Bonds2

About O-methyl N-(4-propan-2-ylphenyl)carbamothioate

O-methyl N-(4-propan-2-ylphenyl)carbamothioate (PubChem CID 2803934) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is O-methyl N-(4-propan-2-ylphenyl)carbamothioate.

Molecular Properties

Compound NameO-methyl N-(4-propan-2-ylphenyl)carbamothioate
PubChem CID2803934
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC NameO-methyl N-(4-propan-2-ylphenyl)carbamothioate
SMILESCOC(=S)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C11H15NOS/c1-8(2)9-4-6-10(7-5-9)12-11(14)13-3/h4-8H,1-3H3,(H,12,14)
InChIKeyZDFJKZJSCNRRFU-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(4-propan-2-ylphenyl)carbamothioyl]carbamate
CID 86625912
methyl N'-[(4-propan-2-ylphenyl)carbamothioyl]carbamimidate
CID 2746666
1-(2,6-dimethylphenyl)-3-(4-propan-2-ylphenyl)thiourea
CID 699953
1-methoxy-3-(4-propan-2-ylphenyl)urea
CID 134178123
1-(3-chloro-4-methylphenyl)-3-(4-propan-2-ylphenyl)thiourea
CID 17283512
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
ethyl N-[(4-propan-2-ylphenyl)carbamothioylamino]carbamate
CID 7988099
1-[(4-methoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)thiourea
CID 972265
3,5-dimethyl-N-[(4-propan-2-ylphenyl)carbamothioyl]benzamide
CID 918770
3-(4-propan-2-ylphenyl)-1,1-dipropylthiourea
CID 19652992
1,1-bis(2-methylpropyl)-3-(4-propan-2-ylphenyl)thiourea
CID 19653213
N-[(4-acetamidophenyl)carbamothioyl]-4-propan-2-ylbenzamide
CID 17177592

Frequently Asked Questions

What is the IUPAC name of O-methyl N-(4-propan-2-ylphenyl)carbamothioate?
The IUPAC name of O-methyl N-(4-propan-2-ylphenyl)carbamothioate (CID 2803934) is O-methyl N-(4-propan-2-ylphenyl)carbamothioate.
What is the SMILES notation for O-methyl N-(4-propan-2-ylphenyl)carbamothioate?
The canonical SMILES for O-methyl N-(4-propan-2-ylphenyl)carbamothioate is COC(=S)Nc1ccc(C(C)C)cc1.
What is the InChIKey of O-methyl N-(4-propan-2-ylphenyl)carbamothioate?
The InChIKey is ZDFJKZJSCNRRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8(2)9-4-6-10(7-5-9)12-11(14)13-3/h4-8H,1-3H3,(H,12,14).
What are the key properties of O-methyl N-(4-propan-2-ylphenyl)carbamothioate?
O-methyl N-(4-propan-2-ylphenyl)carbamothioate has a molecular weight of 209.31 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-methyl N-(4-propan-2-ylphenyl)carbamothioate is sourced from PubChem (CID 2803934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).