2-benzhydrylsulfanylethanethioamide

C15H15NS2 — CID 118871449

IUPAC2-benzhydrylsulfanylethanethioamide
SMILESNC(=S)CSC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NS2/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
InChIKeySEQYTPLOSOBXMF-UHFFFAOYSA-N
MW273.43 g/mol
LogP3.80
Rot. Bonds5

About 2-benzhydrylsulfanylethanethioamide

2-benzhydrylsulfanylethanethioamide (PubChem CID 118871449) has the molecular formula C15H15NS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is 2-benzhydrylsulfanylethanethioamide.

Molecular Properties

Compound Name2-benzhydrylsulfanylethanethioamide
PubChem CID118871449
Molecular FormulaC15H15NS2
Molecular Weight273.43 g/mol
Exact Mass273.06
IUPAC Name2-benzhydrylsulfanylethanethioamide
SMILESNC(=S)CSC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NS2/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
InChIKeySEQYTPLOSOBXMF-UHFFFAOYSA-N
XLogP3.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 53.80
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

sodium 2-benzhydrylsulfanylacetate
CID 23709373
2-(2-fluorophenyl)sulfanylethanethioamide
CID 66051849
2-[[2-[[2-[(2-benzhydrylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid
CID 10693882
1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one
CID 142273294
N-acetyl-2-benzhydrylsulfanylacetamide
CID 23347852
ethane;1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one
CID 142273293
[2-bromoethylsulfanyl(phenyl)methyl]benzene
CID 90389506
methyl (2S)-2-amino-3-benzhydrylsulfanylpropanoate;hydrochloride
CID 74889903
2-[[(2R)-2-amino-3-benzhydrylsulfanylpropanoyl]amino]acetic acid
CID 91976170
1-benzhydrylsulfanylethenamine;diphenylmethanol;thiourea
CID 158106249
3-hydroxy-5,5-diphenylpentanethioamide
CID 139816994
2-benzhydrylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 112777132

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfanylethanethioamide?
The IUPAC name of 2-benzhydrylsulfanylethanethioamide (CID 118871449) is 2-benzhydrylsulfanylethanethioamide.
What is the SMILES notation for 2-benzhydrylsulfanylethanethioamide?
The canonical SMILES for 2-benzhydrylsulfanylethanethioamide is NC(=S)CSC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydrylsulfanylethanethioamide?
The InChIKey is SEQYTPLOSOBXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS2/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17).
What are the key properties of 2-benzhydrylsulfanylethanethioamide?
2-benzhydrylsulfanylethanethioamide has a molecular weight of 273.43 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfanylethanethioamide is sourced from PubChem (CID 118871449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).