methyl N-phenyl-N-propan-2-ylcarbamodithioate

C11H15NS2 — CID 71384710

IUPACmethyl N-phenyl-N-propan-2-ylcarbamodithioate
SMILESCSC(=S)N(c1ccccc1)C(C)C
InChIInChI=1S/C11H15NS2/c1-9(2)12(11(13)14-3)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyUZYAXQDEYFVLHU-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.55
Rot. Bonds2

About methyl N-phenyl-N-propan-2-ylcarbamodithioate

methyl N-phenyl-N-propan-2-ylcarbamodithioate (PubChem CID 71384710) has the molecular formula C11H15NS2 and a molecular weight of 225.38 g/mol. Its IUPAC name is methyl N-phenyl-N-propan-2-ylcarbamodithioate.

Molecular Properties

Compound Namemethyl N-phenyl-N-propan-2-ylcarbamodithioate
PubChem CID71384710
Molecular FormulaC11H15NS2
Molecular Weight225.38 g/mol
Exact Mass225.06
IUPAC Namemethyl N-phenyl-N-propan-2-ylcarbamodithioate
SMILESCSC(=S)N(c1ccccc1)C(C)C
InChIInChI=1S/C11H15NS2/c1-9(2)12(11(13)14-3)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyUZYAXQDEYFVLHU-UHFFFAOYSA-N
XLogP3.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-hydroxy-N-phenylcarbamodithioate
CID 134883426
3-hydroxy-1-phenyl-1-propan-2-ylurea
CID 22717691
propan-2-yl N-phenyl-N-propan-2-ylcarbamate
CID 71384721
3-(2-methoxyethyl)-1-phenyl-1-propan-2-ylthiourea
CID 5176938
2-dihydroxyphosphinothioylsulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 149151907
2-hydroxy-2-(methylsulfamoyl)-N-phenyl-N-propan-2-ylacetamide
CID 172839572
11-(N-propan-2-ylanilino)dodeca-1,11-dien-2-ol
CID 88971947
(4-phenylphenyl)-propan-2-ylcarbamic acid
CID 118254837
ethane;methyl benzenecarbodithioate
CID 144606812
2-(benzhydrylamino)-N-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 68964750
3-(4-acetylphenyl)-1-phenyl-1-propan-2-ylurea
CID 74225561
phenyl N,N-dimethylcarbamodithioate
CID 11063386

Frequently Asked Questions

What is the IUPAC name of methyl N-phenyl-N-propan-2-ylcarbamodithioate?
The IUPAC name of methyl N-phenyl-N-propan-2-ylcarbamodithioate (CID 71384710) is methyl N-phenyl-N-propan-2-ylcarbamodithioate.
What is the SMILES notation for methyl N-phenyl-N-propan-2-ylcarbamodithioate?
The canonical SMILES for methyl N-phenyl-N-propan-2-ylcarbamodithioate is CSC(=S)N(c1ccccc1)C(C)C.
What is the InChIKey of methyl N-phenyl-N-propan-2-ylcarbamodithioate?
The InChIKey is UZYAXQDEYFVLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS2/c1-9(2)12(11(13)14-3)10-7-5-4-6-8-10/h4-9H,1-3H3.
What are the key properties of methyl N-phenyl-N-propan-2-ylcarbamodithioate?
methyl N-phenyl-N-propan-2-ylcarbamodithioate has a molecular weight of 225.38 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-phenyl-N-propan-2-ylcarbamodithioate is sourced from PubChem (CID 71384710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).