bis[2-(aminomethyl)phenyl]methanethione

C15H16N2S — CID 87478627

IUPACbis[2-(aminomethyl)phenyl]methanethione
SMILESNCc1ccccc1C(=S)c1ccccc1CN
InChIInChI=1S/C15H16N2S/c16-9-11-5-1-3-7-13(11)15(18)14-8-4-2-6-12(14)10-17/h1-8H,9-10,16-17H2
InChIKeyKLTLIRUIKFORDC-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.37
Rot. Bonds4

About bis[2-(aminomethyl)phenyl]methanethione

bis[2-(aminomethyl)phenyl]methanethione (PubChem CID 87478627) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is bis[2-(aminomethyl)phenyl]methanethione.

Molecular Properties

Compound Namebis[2-(aminomethyl)phenyl]methanethione
PubChem CID87478627
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Namebis[2-(aminomethyl)phenyl]methanethione
SMILESNCc1ccccc1C(=S)c1ccccc1CN
InChIInChI=1S/C15H16N2S/c16-9-11-5-1-3-7-13(11)15(18)14-8-4-2-6-12(14)10-17/h1-8H,9-10,16-17H2
InChIKeyKLTLIRUIKFORDC-UHFFFAOYSA-N
XLogP2.37
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)benzoyl chloride
CID 82503183
[2-(1-chloroethenyl)phenyl]methanamine
CID 172698526
2-(aminomethyl)-N'-hydroxybenzenecarboximidamide
CID 22358532
1-[2-(aminomethyl)phenyl]-2-hydroxyethanone
CID 163539721
1-[2-(aminomethyl)phenyl]-2-bromoethanone
CID 150045580
[2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine
CID 163257031
2-(aminomethyl)phenol;methane
CID 158060419
(2-propan-2-ylphenyl)methanamine
CID 15040708
[2-[(Z)-3-methyl-4-phenylbut-2-en-2-yl]phenyl]methanamine;hydrochloride
CID 173049535
ethyl 2-[2-(aminomethyl)phenyl]-2-oxoacetate
CID 174607647
2-[[2-(aminomethyl)benzoyl]amino]acetic acid
CID 57129733
1,1,5,5-tetrakis[2-(aminomethyl)phenyl]pentan-3-one
CID 174948775

Frequently Asked Questions

What is the IUPAC name of bis[2-(aminomethyl)phenyl]methanethione?
The IUPAC name of bis[2-(aminomethyl)phenyl]methanethione (CID 87478627) is bis[2-(aminomethyl)phenyl]methanethione.
What is the SMILES notation for bis[2-(aminomethyl)phenyl]methanethione?
The canonical SMILES for bis[2-(aminomethyl)phenyl]methanethione is NCc1ccccc1C(=S)c1ccccc1CN.
What is the InChIKey of bis[2-(aminomethyl)phenyl]methanethione?
The InChIKey is KLTLIRUIKFORDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c16-9-11-5-1-3-7-13(11)15(18)14-8-4-2-6-12(14)10-17/h1-8H,9-10,16-17H2.
What are the key properties of bis[2-(aminomethyl)phenyl]methanethione?
bis[2-(aminomethyl)phenyl]methanethione has a molecular weight of 256.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(aminomethyl)phenyl]methanethione is sourced from PubChem (CID 87478627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).