diphenylmethanamine;methanethiol

C14H17NS — CID 143873840

IUPACdiphenylmethanamine;methanethiol
SMILESCS.NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N.CH4S/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2/h1-10,13H,14H2;2H,1H3
InChIKeyVRRSWQWTUNAGDM-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.28
Rot. Bonds2

About diphenylmethanamine;methanethiol

diphenylmethanamine;methanethiol (PubChem CID 143873840) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is diphenylmethanamine;methanethiol.

Molecular Properties

Compound Namediphenylmethanamine;methanethiol
PubChem CID143873840
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Namediphenylmethanamine;methanethiol
SMILESCS.NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N.CH4S/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2/h1-10,13H,14H2;2H,1H3
InChIKeyVRRSWQWTUNAGDM-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(S)-phenyl-(4-propan-2-ylphenyl)methanamine;hydrochloride
CID 175772829
diphenylmethanamine;N-phenylaniline
CID 162045655
(4-fluorophenyl)-phenylmethanamine
CID 11183272
diphenylmethanamine;phosphoric acid
CID 67153031
cumene;methanethiol
CID 170640582
[4-(2-methylpropyl)phenyl]-phenylmethanamine
CID 43198176
benzoic acid;diphenylmethanamine
CID 3075109
(2-methylphenyl)-phenylmethanamine
CID 15254157
4-[amino(phenyl)methyl]-N,N-diethylaniline
CID 154345063
ethane;(1R)-1-phenylethanamine
CID 142977390
(4-chloro-3-methylphenyl)-phenylmethanamine
CID 71247470
phenyl(pyridin-3-yl)methanamine;hydrochloride
CID 23724449

Frequently Asked Questions

What is the IUPAC name of diphenylmethanamine;methanethiol?
The IUPAC name of diphenylmethanamine;methanethiol (CID 143873840) is diphenylmethanamine;methanethiol.
What is the SMILES notation for diphenylmethanamine;methanethiol?
The canonical SMILES for diphenylmethanamine;methanethiol is CS.NC(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylmethanamine;methanethiol?
The InChIKey is VRRSWQWTUNAGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.CH4S/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2/h1-10,13H,14H2;2H,1H3.
What are the key properties of diphenylmethanamine;methanethiol?
diphenylmethanamine;methanethiol has a molecular weight of 231.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanamine;methanethiol is sourced from PubChem (CID 143873840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).