N-methyl-2-propan-2-ylbenzenecarbothioamide

C11H15NS — CID 10965376

IUPACN-methyl-2-propan-2-ylbenzenecarbothioamide
SMILESCNC(=S)c1ccccc1C(C)C
InChIInChI=1S/C11H15NS/c1-8(2)9-6-4-5-7-10(9)11(13)12-3/h4-8H,1-3H3,(H,12,13)
InChIKeyZRDFPQPGRARVQX-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.70
Rot. Bonds2

About N-methyl-2-propan-2-ylbenzenecarbothioamide

N-methyl-2-propan-2-ylbenzenecarbothioamide (PubChem CID 10965376) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is N-methyl-2-propan-2-ylbenzenecarbothioamide.

Molecular Properties

Compound NameN-methyl-2-propan-2-ylbenzenecarbothioamide
PubChem CID10965376
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC NameN-methyl-2-propan-2-ylbenzenecarbothioamide
SMILESCNC(=S)c1ccccc1C(C)C
InChIInChI=1S/C11H15NS/c1-8(2)9-6-4-5-7-10(9)11(13)12-3/h4-8H,1-3H3,(H,12,13)
InChIKeyZRDFPQPGRARVQX-UHFFFAOYSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-methylbenzenecarbothioamide
CID 10797150
1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
CID 67945637
N-hydroxy-2-propan-2-ylbenzamide
CID 147875920
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
N,2-di(propan-2-yl)benzamide
CID 14972595
N-(2-propan-2-ylphenyl)ethanethioamide
CID 123184700
1-[(E)-but-2-en-2-yl]-2-propan-2-ylbenzene
CID 147553319
N-methyl-3-(2-propan-2-ylanilino)propanamide
CID 62325491
1-ethyl-3-(2-propan-2-ylphenyl)thiourea
CID 8626597
N-[2,6-di(propan-2-yl)phenyl]-2-hydroxybenzamide
CID 121296745
4-(2-aminophenyl)-N-methylpentanamide
CID 143020696
1,2-di(propan-2-yl)benzene;1-sulfanylethanol
CID 174932639

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-ylbenzenecarbothioamide?
The IUPAC name of N-methyl-2-propan-2-ylbenzenecarbothioamide (CID 10965376) is N-methyl-2-propan-2-ylbenzenecarbothioamide.
What is the SMILES notation for N-methyl-2-propan-2-ylbenzenecarbothioamide?
The canonical SMILES for N-methyl-2-propan-2-ylbenzenecarbothioamide is CNC(=S)c1ccccc1C(C)C.
What is the InChIKey of N-methyl-2-propan-2-ylbenzenecarbothioamide?
The InChIKey is ZRDFPQPGRARVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-8(2)9-6-4-5-7-10(9)11(13)12-3/h4-8H,1-3H3,(H,12,13).
What are the key properties of N-methyl-2-propan-2-ylbenzenecarbothioamide?
N-methyl-2-propan-2-ylbenzenecarbothioamide has a molecular weight of 193.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-ylbenzenecarbothioamide is sourced from PubChem (CID 10965376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).