N,N-dimethyl-1-benzofuran-2-carbothioamide

C11H11NOS — CID 119087189

IUPACN,N-dimethyl-1-benzofuran-2-carbothioamide
SMILESCN(C)C(=S)c1cc2ccccc2o1
InChIInChI=1S/C11H11NOS/c1-12(2)11(14)10-7-8-5-3-4-6-9(8)13-10/h3-7H,1-2H3
InChIKeyKIGWCPFVPTUXQD-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.67
Rot. Bonds1

About N,N-dimethyl-1-benzofuran-2-carbothioamide

N,N-dimethyl-1-benzofuran-2-carbothioamide (PubChem CID 119087189) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is N,N-dimethyl-1-benzofuran-2-carbothioamide.

Molecular Properties

Compound NameN,N-dimethyl-1-benzofuran-2-carbothioamide
PubChem CID119087189
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC NameN,N-dimethyl-1-benzofuran-2-carbothioamide
SMILESCN(C)C(=S)c1cc2ccccc2o1
InChIInChI=1S/C11H11NOS/c1-12(2)11(14)10-7-8-5-3-4-6-9(8)13-10/h3-7H,1-2H3
InChIKeyKIGWCPFVPTUXQD-UHFFFAOYSA-N
XLogP2.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-N-methylmethanamine
CID 59951457
1-(1-benzofuran-2-yl)ethanone
CID 15435
1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 13148492
[1-benzofuran-2-yl(methoxy)methylidene]chromium
CID 134878936
N,N-dimethyl-1-benzofuran-2-amine
CID 21259133
1-benzofuran-2-carboxamide;hydrate;dihydrochloride
CID 144595737
CID 171632715
CID 171632715
2-[1-benzofuran-2-carbonyl(methyl)amino]benzoic acid
CID 43823107
2-[(E)-4,4,4-trifluorobut-2-en-2-yl]-1-benzofuran
CID 134858852
tert-butyl 1-benzofuran-2-carboxylate
CID 63896278
N-tert-butyl-1-benzofuran-2-carboxamide
CID 737735
1-(1-benzofuran-2-yl)-3,3-dimethylbutan-1-one
CID 114725277

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-benzofuran-2-carbothioamide?
The IUPAC name of N,N-dimethyl-1-benzofuran-2-carbothioamide (CID 119087189) is N,N-dimethyl-1-benzofuran-2-carbothioamide.
What is the SMILES notation for N,N-dimethyl-1-benzofuran-2-carbothioamide?
The canonical SMILES for N,N-dimethyl-1-benzofuran-2-carbothioamide is CN(C)C(=S)c1cc2ccccc2o1.
What is the InChIKey of N,N-dimethyl-1-benzofuran-2-carbothioamide?
The InChIKey is KIGWCPFVPTUXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-12(2)11(14)10-7-8-5-3-4-6-9(8)13-10/h3-7H,1-2H3.
What are the key properties of N,N-dimethyl-1-benzofuran-2-carbothioamide?
N,N-dimethyl-1-benzofuran-2-carbothioamide has a molecular weight of 205.28 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-benzofuran-2-carbothioamide is sourced from PubChem (CID 119087189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).