N-[1-(dimethylamino)ethylidene]benzenecarbothioamide

C11H14N2S — CID 10632118

IUPACN-[1-(dimethylamino)ethylidene]benzenecarbothioamide
SMILESC/C(=N\C(=S)c1ccccc1)N(C)C
InChIInChI=1S/C11H14N2S/c1-9(13(2)3)12-11(14)10-7-5-4-6-8-10/h4-8H,1-3H3/b12-9+
InChIKeyMCJBEKQMDSMYCK-FMIVXFBMSA-N
MW206.31 g/mol
LogP2.34
Rot. Bonds1

About N-[1-(dimethylamino)ethylidene]benzenecarbothioamide

N-[1-(dimethylamino)ethylidene]benzenecarbothioamide (PubChem CID 10632118) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-[1-(dimethylamino)ethylidene]benzenecarbothioamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)ethylidene]benzenecarbothioamide
PubChem CID10632118
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC NameN-[1-(dimethylamino)ethylidene]benzenecarbothioamide
SMILESC/C(=N\C(=S)c1ccccc1)N(C)C
InChIInChI=1S/C11H14N2S/c1-9(13(2)3)12-11(14)10-7-5-4-6-8-10/h4-8H,1-3H3/b12-9+
InChIKeyMCJBEKQMDSMYCK-FMIVXFBMSA-N
XLogP2.34
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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CID 25231659
n-Benzylacetamidine
CID 445678
N,N-Dimethyl-N'-(phenylmethyl)methanimidamide
CID 523875
(2E)-N'-benzyl-2-hydroxyimino-N,N-dimethylethanimidamide;hydrochloride
CID 136152731
N-benzylacetimidamide hydrochloride
CID 69168126
N''-Benzyl-N,N,N',N'-tetramethyl-guanidine
CID 525254
N,N-Dimethyl-N'-(2-phenylethyl)ethanimidamide
CID 3046294
N,N-Dimethyl-N'-(1-methyl-2-phenylethyl)ethanimidamide
CID 3046297
N,N,N'-Trimethylbenzenecarboximidamide monohydrochloride
CID 3049214
S3XE9QY4NU
CID 24195698
(CH3)2N-C(C6H5)=Nch3
CID 3049215
5-benzylimino-N,N-dimethyl-1,2,4-dithiazol-3-amine;hydrobromide
CID 378508

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)ethylidene]benzenecarbothioamide?
The IUPAC name of N-[1-(dimethylamino)ethylidene]benzenecarbothioamide (CID 10632118) is N-[1-(dimethylamino)ethylidene]benzenecarbothioamide.
What is the SMILES notation for N-[1-(dimethylamino)ethylidene]benzenecarbothioamide?
The canonical SMILES for N-[1-(dimethylamino)ethylidene]benzenecarbothioamide is C/C(=N\C(=S)c1ccccc1)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)ethylidene]benzenecarbothioamide?
The InChIKey is MCJBEKQMDSMYCK-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H14N2S/c1-9(13(2)3)12-11(14)10-7-5-4-6-8-10/h4-8H,1-3H3/b12-9+.
What are the key properties of N-[1-(dimethylamino)ethylidene]benzenecarbothioamide?
N-[1-(dimethylamino)ethylidene]benzenecarbothioamide has a molecular weight of 206.31 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)ethylidene]benzenecarbothioamide is sourced from PubChem (CID 10632118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).