methyl N-hydroxy-N-phenylcarbamodithioate

C8H9NOS2 — CID 134883426

IUPACmethyl N-hydroxy-N-phenylcarbamodithioate
SMILESCSC(=S)N(O)c1ccccc1
InChIInChI=1S/C8H9NOS2/c1-12-8(11)9(10)7-5-3-2-4-6-7/h2-6,10H,1H3
InChIKeyCRUJEYKOPFHDCE-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.53
Rot. Bonds1

About methyl N-hydroxy-N-phenylcarbamodithioate

methyl N-hydroxy-N-phenylcarbamodithioate (PubChem CID 134883426) has the molecular formula C8H9NOS2 and a molecular weight of 199.30 g/mol. Its IUPAC name is methyl N-hydroxy-N-phenylcarbamodithioate.

Molecular Properties

Compound Namemethyl N-hydroxy-N-phenylcarbamodithioate
PubChem CID134883426
Molecular FormulaC8H9NOS2
Molecular Weight199.30 g/mol
Exact Mass199.01
IUPAC Namemethyl N-hydroxy-N-phenylcarbamodithioate
SMILESCSC(=S)N(O)c1ccccc1
InChIInChI=1S/C8H9NOS2/c1-12-8(11)9(10)7-5-3-2-4-6-7/h2-6,10H,1H3
InChIKeyCRUJEYKOPFHDCE-UHFFFAOYSA-N
XLogP2.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-phenyl-N-propan-2-ylcarbamodithioate
CID 71384710
bicyclo[2.2.0]hexa-1(4),2,5-triene;1-hydroxy-1-phenylthiourea
CID 21412665
methyl N-benzyl-N-(4-chlorophenyl)carbamodithioate
CID 10968829
2-chloro-N-hydroxy-N-phenylpropanamide
CID 57100198
N-hydroxy-N-phenylbenzamide;tungsten
CID 159148219
potassium N,N-diphenylcarbamodithioate
CID 23672385
2-cyanopropan-2-yl N,N-diphenylcarbamodithioate
CID 102195162
[methyl(methylsulfanylsulfinyl)amino]benzene
CID 100915343
sodium N,N-diphenylcarbamothioate
CID 142702473
ethane;methyl benzenecarbodithioate
CID 144606812
2-[ethyl(phenyl)carbamothioyl]sulfanylethyl N-ethyl-N-phenylcarbamodithioate
CID 102275422
4-(dimethylamino)-N-hydroxy-N-phenylbenzamide
CID 71402496

Frequently Asked Questions

What is the IUPAC name of methyl N-hydroxy-N-phenylcarbamodithioate?
The IUPAC name of methyl N-hydroxy-N-phenylcarbamodithioate (CID 134883426) is methyl N-hydroxy-N-phenylcarbamodithioate.
What is the SMILES notation for methyl N-hydroxy-N-phenylcarbamodithioate?
The canonical SMILES for methyl N-hydroxy-N-phenylcarbamodithioate is CSC(=S)N(O)c1ccccc1.
What is the InChIKey of methyl N-hydroxy-N-phenylcarbamodithioate?
The InChIKey is CRUJEYKOPFHDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS2/c1-12-8(11)9(10)7-5-3-2-4-6-7/h2-6,10H,1H3.
What are the key properties of methyl N-hydroxy-N-phenylcarbamodithioate?
methyl N-hydroxy-N-phenylcarbamodithioate has a molecular weight of 199.30 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-hydroxy-N-phenylcarbamodithioate is sourced from PubChem (CID 134883426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).