1-benzhydrylsulfanylethenamine;methane

C16H19NS — CID 143471455

IUPAC1-benzhydrylsulfanylethenamine;methane
SMILESC.C=C(N)SC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NS.CH4/c1-12(16)17-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11,15H,1,16H2;1H4
InChIKeyCWUAKDIDFPHJLG-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.58
Rot. Bonds4

About 1-benzhydrylsulfanylethenamine;methane

1-benzhydrylsulfanylethenamine;methane (PubChem CID 143471455) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-benzhydrylsulfanylethenamine;methane.

Molecular Properties

Compound Name1-benzhydrylsulfanylethenamine;methane
PubChem CID143471455
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name1-benzhydrylsulfanylethenamine;methane
SMILESC.C=C(N)SC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NS.CH4/c1-12(16)17-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11,15H,1,16H2;1H4
InChIKeyCWUAKDIDFPHJLG-UHFFFAOYSA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzhydrylsulfanylethenamine;diphenylmethanol;methane;thiourea
CID 161119503
1-benzhydrylsulfanylethenamine;diphenylmethanol;thiourea
CID 158106249
[amino(benzhydrylsulfanyl)methylidene]azanium chloride
CID 165339375
benzhydryl N'-(2-phenylethyl)carbamimidothioate
CID 8775421
[(R)-(4-chlorophenyl)-phenylmethyl] carbamimidothioate
CID 8830091
2-benzhydrylsulfanylethanethioamide
CID 118871449
[(S)-amino(phenyl)methyl] carbamodithioate
CID 88798677
[(benzhydryltrisulfanyl)-phenylmethyl]benzene
CID 141498612
2-benzhydrylsulfanyl-2-methylpropanamide
CID 15225702
3-methyl-2-phenylbut-3-en-1-amine
CID 67451506
magnesium;benzhydrylsilane;hydride
CID 174447165
2-amino-2-phenylacetic acid;carbamic acid
CID 159174170

Frequently Asked Questions

What is the IUPAC name of 1-benzhydrylsulfanylethenamine;methane?
The IUPAC name of 1-benzhydrylsulfanylethenamine;methane (CID 143471455) is 1-benzhydrylsulfanylethenamine;methane.
What is the SMILES notation for 1-benzhydrylsulfanylethenamine;methane?
The canonical SMILES for 1-benzhydrylsulfanylethenamine;methane is C.C=C(N)SC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydrylsulfanylethenamine;methane?
The InChIKey is CWUAKDIDFPHJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS.CH4/c1-12(16)17-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11,15H,1,16H2;1H4.
What are the key properties of 1-benzhydrylsulfanylethenamine;methane?
1-benzhydrylsulfanylethenamine;methane has a molecular weight of 257.40 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydrylsulfanylethenamine;methane is sourced from PubChem (CID 143471455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).