N-ethenyl-4-methylbenzenecarbothioamide

C10H11NS — CID 143068941

IUPACN-ethenyl-4-methylbenzenecarbothioamide
SMILESC=CNC(=S)c1ccc(C)cc1
InChIInChI=1S/C10H11NS/c1-3-11-10(12)9-6-4-8(2)5-7-9/h3-7H,1H2,2H3,(H,11,12)
InChIKeyHNDYNNDCBRMLLJ-UHFFFAOYSA-N
MW177.27 g/mol
LogP2.40
Rot. Bonds2

About N-ethenyl-4-methylbenzenecarbothioamide

N-ethenyl-4-methylbenzenecarbothioamide (PubChem CID 143068941) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is N-ethenyl-4-methylbenzenecarbothioamide.

Molecular Properties

Compound NameN-ethenyl-4-methylbenzenecarbothioamide
PubChem CID143068941
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC NameN-ethenyl-4-methylbenzenecarbothioamide
SMILESC=CNC(=S)c1ccc(C)cc1
InChIInChI=1S/C10H11NS/c1-3-11-10(12)9-6-4-8(2)5-7-9/h3-7H,1H2,2H3,(H,11,12)
InChIKeyHNDYNNDCBRMLLJ-UHFFFAOYSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 52.40
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

N-ethenyl-4-ethylbenzenecarbothioamide
CID 143154132
N-ethenyl-4-methylbenzamide
CID 22624715
N-(4-fluorophenyl)-4-methylbenzenecarbothioamide
CID 10399620
buta-1,3-diene;1-buta-1,3-dien-2-yl-4-methylbenzene
CID 174224739
N-(2-fluorophenyl)-4-methylbenzenecarbothioamide
CID 10399619
4-methyl-N-[(4-methylbenzoyl)carbamothioyl]benzamide
CID 22071974
1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane
CID 123373957
(Z)-3-(methylamino)-2-(4-methylphenyl)prop-2-enethial
CID 13434486
ethenol;N,N,4-trimethylaniline
CID 161109749
1-methyl-4-prop-1-en-2-ylbenzene
CID 90700010
methane;2-methylbuta-1,3-diene;1,4-xylene
CID 145089492
1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-4-methylbenzenecarbothioamide?
The IUPAC name of N-ethenyl-4-methylbenzenecarbothioamide (CID 143068941) is N-ethenyl-4-methylbenzenecarbothioamide.
What is the SMILES notation for N-ethenyl-4-methylbenzenecarbothioamide?
The canonical SMILES for N-ethenyl-4-methylbenzenecarbothioamide is C=CNC(=S)c1ccc(C)cc1.
What is the InChIKey of N-ethenyl-4-methylbenzenecarbothioamide?
The InChIKey is HNDYNNDCBRMLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-3-11-10(12)9-6-4-8(2)5-7-9/h3-7H,1H2,2H3,(H,11,12).
What are the key properties of N-ethenyl-4-methylbenzenecarbothioamide?
N-ethenyl-4-methylbenzenecarbothioamide has a molecular weight of 177.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-4-methylbenzenecarbothioamide is sourced from PubChem (CID 143068941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).