benzoylsulfanylmethylidene(dimethyl)azanium

C10H12NOS+ — CID 13444024

IUPACbenzoylsulfanylmethylidene(dimethyl)azanium
SMILESC[N+](C)=CSC(=O)c1ccccc1
InChIInChI=1S/C10H12NOS/c1-11(2)8-13-10(12)9-6-4-3-5-7-9/h3-8H,1-2H3/q+1
InChIKeyLQAPEHLFSFBSHT-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.86
Rot. Bonds2

About benzoylsulfanylmethylidene(dimethyl)azanium

benzoylsulfanylmethylidene(dimethyl)azanium (PubChem CID 13444024) has the molecular formula C10H12NOS+ and a molecular weight of 194.28 g/mol. Its IUPAC name is benzoylsulfanylmethylidene(dimethyl)azanium.

Molecular Properties

Compound Namebenzoylsulfanylmethylidene(dimethyl)azanium
PubChem CID13444024
Molecular FormulaC10H12NOS+
Molecular Weight194.28 g/mol
Exact Mass194.06
IUPAC Namebenzoylsulfanylmethylidene(dimethyl)azanium
SMILESC[N+](C)=CSC(=O)c1ccccc1
InChIInChI=1S/C10H12NOS/c1-11(2)8-13-10(12)9-6-4-3-5-7-9/h3-8H,1-2H3/q+1
InChIKeyLQAPEHLFSFBSHT-UHFFFAOYSA-N
XLogP1.86
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

S-[(E)-2-phenylethenyl] benzenecarbothioate
CID 14024326
hydrazine;S-methylsulfanyl benzenecarbothioate
CID 174795675
S-methylsulfanyl benzenecarbothioate
CID 15469185
bis(1,2-diphenylethane-1,2-dione);silylidenezirconium
CID 158973097
S-amino benzenecarbothioate
CID 569822
benzoylsulfanylmethyl(dimethyl)azanium chloride
CID 171371334
S-(2-methylhydrazinyl) benzenecarbothioate
CID 90998429
S-(3-methylbutyl) benzenecarbothioate
CID 23432719
S-dimethoxyphosphinothioyl benzenecarbothioate
CID 13352061
S-(2,3,4,5,6-pentamethylphenyl) benzenecarbothioate
CID 15577914
S-(tert-butylamino) benzenecarbothioate
CID 151499955
S-(3-oxoprop-1-en-2-yl) benzenecarbothioate
CID 101469440

Frequently Asked Questions

What is the IUPAC name of benzoylsulfanylmethylidene(dimethyl)azanium?
The IUPAC name of benzoylsulfanylmethylidene(dimethyl)azanium (CID 13444024) is benzoylsulfanylmethylidene(dimethyl)azanium.
What is the SMILES notation for benzoylsulfanylmethylidene(dimethyl)azanium?
The canonical SMILES for benzoylsulfanylmethylidene(dimethyl)azanium is C[N+](C)=CSC(=O)c1ccccc1.
What is the InChIKey of benzoylsulfanylmethylidene(dimethyl)azanium?
The InChIKey is LQAPEHLFSFBSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NOS/c1-11(2)8-13-10(12)9-6-4-3-5-7-9/h3-8H,1-2H3/q+1.
What are the key properties of benzoylsulfanylmethylidene(dimethyl)azanium?
benzoylsulfanylmethylidene(dimethyl)azanium has a molecular weight of 194.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzoylsulfanylmethylidene(dimethyl)azanium is sourced from PubChem (CID 13444024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).