4-(dimethylamino)-N-ethylbenzenecarbothioamide

C11H16N2S — CID 154190150

IUPAC4-(dimethylamino)-N-ethylbenzenecarbothioamide
SMILESCCNC(=S)c1ccc(N(C)C)cc1
InChIInChI=1S/C11H16N2S/c1-4-12-11(14)9-5-7-10(8-6-9)13(2)3/h5-8H,4H2,1-3H3,(H,12,14)
InChIKeySDFRYORMCTUBPW-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.04
Rot. Bonds3

About 4-(dimethylamino)-N-ethylbenzenecarbothioamide

4-(dimethylamino)-N-ethylbenzenecarbothioamide (PubChem CID 154190150) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 4-(dimethylamino)-N-ethylbenzenecarbothioamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-ethylbenzenecarbothioamide
PubChem CID154190150
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name4-(dimethylamino)-N-ethylbenzenecarbothioamide
SMILESCCNC(=S)c1ccc(N(C)C)cc1
InChIInChI=1S/C11H16N2S/c1-4-12-11(14)9-5-7-10(8-6-9)13(2)3/h5-8H,4H2,1-3H3,(H,12,14)
InChIKeySDFRYORMCTUBPW-UHFFFAOYSA-N
XLogP2.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.04
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

O-methyl 4-(dimethylamino)benzenecarbothioate
CID 46872087
4-(dimethylamino)-N-(oxolan-2-ylmethyl)benzenecarbothioamide
CID 2983117
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CID 7728669
1-[4-(dimethylamino)phenyl]-2-phenylethane-1,2-dithione
CID 14817511
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228962
2-[[4-(dimethylamino)phenyl]methyl]-1,3-diethylguanidine;hydroiodide
CID 110913807
4-N,4-N-dimethylbenzene-1,4-diamine;ethylcarbamothioic S-acid
CID 88654343
4-[4-(dimethylamino)phenyl]-2,4-dioxobutanoic acid
CID 23090325
[4-[4-(dimethylamino)benzenecarbothioyl]piperazin-1-yl]-[4-(dimethylamino)phenyl]methanethione
CID 2140180
N-(4-amino-4-sulfanylidenebutan-2-yl)-4-(dimethylamino)-N-methylbenzamide
CID 63223051
4-(dimethylamino)-N-pentylbenzamide
CID 21064504
1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol
CID 72743774

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-ethylbenzenecarbothioamide?
The IUPAC name of 4-(dimethylamino)-N-ethylbenzenecarbothioamide (CID 154190150) is 4-(dimethylamino)-N-ethylbenzenecarbothioamide.
What is the SMILES notation for 4-(dimethylamino)-N-ethylbenzenecarbothioamide?
The canonical SMILES for 4-(dimethylamino)-N-ethylbenzenecarbothioamide is CCNC(=S)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(dimethylamino)-N-ethylbenzenecarbothioamide?
The InChIKey is SDFRYORMCTUBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-4-12-11(14)9-5-7-10(8-6-9)13(2)3/h5-8H,4H2,1-3H3,(H,12,14).
What are the key properties of 4-(dimethylamino)-N-ethylbenzenecarbothioamide?
4-(dimethylamino)-N-ethylbenzenecarbothioamide has a molecular weight of 208.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-ethylbenzenecarbothioamide is sourced from PubChem (CID 154190150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).