N-phenyl-N-(silylmethyl)benzenecarbothioamide

C14H15NSSi — CID 164985077

IUPACN-phenyl-N-(silylmethyl)benzenecarbothioamide
SMILES[SiH3]CN(C(=S)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H15NSSi/c16-14(12-7-3-1-4-8-12)15(11-17)13-9-5-2-6-10-13/h1-10H,11H2,17H3
InChIKeyMCFBYHJTZDHBBO-UHFFFAOYSA-N
MW257.43 g/mol
LogP2.19
Rot. Bonds3

About N-phenyl-N-(silylmethyl)benzenecarbothioamide

N-phenyl-N-(silylmethyl)benzenecarbothioamide (PubChem CID 164985077) has the molecular formula C14H15NSSi and a molecular weight of 257.43 g/mol. Its IUPAC name is N-phenyl-N-(silylmethyl)benzenecarbothioamide.

Molecular Properties

Compound NameN-phenyl-N-(silylmethyl)benzenecarbothioamide
PubChem CID164985077
Molecular FormulaC14H15NSSi
Molecular Weight257.43 g/mol
Exact Mass257.07
IUPAC NameN-phenyl-N-(silylmethyl)benzenecarbothioamide
SMILES[SiH3]CN(C(=S)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H15NSSi/c16-14(12-7-3-1-4-8-12)15(11-17)13-9-5-2-6-10-13/h1-10H,11H2,17H3
InChIKeyMCFBYHJTZDHBBO-UHFFFAOYSA-N
XLogP2.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(benzenecarbonothioyl)-N-[2-[bis(benzenecarbonothioyl)amino]ethyl]benzenecarbothioamide
CID 88799904
copper(1+);N-ethyl-N-phenylcarbamodithioate
CID 142768613
N-(4-ethylphenyl)-N-hydroxybenzenecarbothioamide
CID 86091278
N-[benzyl(phenyl)carbamothioyl]benzamide
CID 44825170
N,N-dibutylbenzenecarbothioamide
CID 12716080
N-(4-bromophenyl)-N-hydroxybenzenecarbothioamide
CID 15818186
phenyl N-(cyanomethyl)-N-phenylcarbamodithioate
CID 175069837
(E)-N-(benzenecarbonothioyl)-2-methyl-N-phenylbut-2-enamide
CID 14869270
amino(benzenecarbonothioyl)carbamic acid
CID 87614992
1,3-diphenylpropane-1,3-dithione
CID 23346868
hydroxymethyl(phenyl)carbamic acid
CID 69165687
2-[ethyl(phenyl)carbamothioyl]sulfanylethyl N-ethyl-N-phenylcarbamodithioate
CID 102275422

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(silylmethyl)benzenecarbothioamide?
The IUPAC name of N-phenyl-N-(silylmethyl)benzenecarbothioamide (CID 164985077) is N-phenyl-N-(silylmethyl)benzenecarbothioamide.
What is the SMILES notation for N-phenyl-N-(silylmethyl)benzenecarbothioamide?
The canonical SMILES for N-phenyl-N-(silylmethyl)benzenecarbothioamide is [SiH3]CN(C(=S)c1ccccc1)c1ccccc1.
What is the InChIKey of N-phenyl-N-(silylmethyl)benzenecarbothioamide?
The InChIKey is MCFBYHJTZDHBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NSSi/c16-14(12-7-3-1-4-8-12)15(11-17)13-9-5-2-6-10-13/h1-10H,11H2,17H3.
What are the key properties of N-phenyl-N-(silylmethyl)benzenecarbothioamide?
N-phenyl-N-(silylmethyl)benzenecarbothioamide has a molecular weight of 257.43 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(silylmethyl)benzenecarbothioamide is sourced from PubChem (CID 164985077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).