[amino(benzhydrylsulfanyl)methylidene]azanium chloride

C14H15ClN2S — CID 165339375

IUPAC[amino(benzhydrylsulfanyl)methylidene]azanium chloride
SMILESNC(=[NH2+])SC(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C14H14N2S.ClH/c15-14(16)17-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,13H,(H3,15,16);1H
InChIKeyIQFNCNHJOCSBHF-UHFFFAOYSA-N
MW278.81 g/mol
LogP-1.41
Rot. Bonds3

About [amino(benzhydrylsulfanyl)methylidene]azanium chloride

[amino(benzhydrylsulfanyl)methylidene]azanium chloride (PubChem CID 165339375) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is [amino(benzhydrylsulfanyl)methylidene]azanium chloride.

Molecular Properties

Compound Name[amino(benzhydrylsulfanyl)methylidene]azanium chloride
PubChem CID165339375
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name[amino(benzhydrylsulfanyl)methylidene]azanium chloride
SMILESNC(=[NH2+])SC(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C14H14N2S.ClH/c15-14(16)17-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,13H,(H3,15,16);1H
InChIKeyIQFNCNHJOCSBHF-UHFFFAOYSA-N
XLogP-1.41
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-benzhydrylsulfanylethenamine;methane
CID 143471455
1-benzhydrylsulfanylethenamine;diphenylmethanol;thiourea
CID 158106249
[(benzhydryltrisulfanyl)-phenylmethyl]benzene
CID 141498612
1-benzhydrylsulfanylethenamine;diphenylmethanol;methane;thiourea
CID 161119503
benzhydryl N'-(2-phenylethyl)carbamimidothioate
CID 8775421
[(R)-(4-chlorophenyl)-phenylmethyl] carbamimidothioate
CID 8830091
2-benzhydrylsulfanylethanethioamide
CID 118871449
[amino(benzhydrylsulfanyl)methylidene]azanium;azane;2-benzhydrylsulfanylacetic acid;2-benzhydrylsulfinylacetamide;2-benzhydrylsulfinylacetic acid;methyl 2-benzhydrylsulfinylacetate
CID 158533207
[(S)-amino(phenyl)methyl] carbamodithioate
CID 88798677
benzhydryl N'-(2,5-dimethylphenyl)carbamimidothioate
CID 8776178
2-benzhydrylsulfanyl-2-methylpropanamide
CID 15225702
magnesium;benzhydrylsilane;hydride
CID 174447165

Frequently Asked Questions

What is the IUPAC name of [amino(benzhydrylsulfanyl)methylidene]azanium chloride?
The IUPAC name of [amino(benzhydrylsulfanyl)methylidene]azanium chloride (CID 165339375) is [amino(benzhydrylsulfanyl)methylidene]azanium chloride.
What is the SMILES notation for [amino(benzhydrylsulfanyl)methylidene]azanium chloride?
The canonical SMILES for [amino(benzhydrylsulfanyl)methylidene]azanium chloride is NC(=[NH2+])SC(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of [amino(benzhydrylsulfanyl)methylidene]azanium chloride?
The InChIKey is IQFNCNHJOCSBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S.ClH/c15-14(16)17-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,13H,(H3,15,16);1H.
What are the key properties of [amino(benzhydrylsulfanyl)methylidene]azanium chloride?
[amino(benzhydrylsulfanyl)methylidene]azanium chloride has a molecular weight of 278.81 g/mol, XLogP of -1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(benzhydrylsulfanyl)methylidene]azanium chloride is sourced from PubChem (CID 165339375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).