methyl N-anilinocarbamodithioate

C8H10N2S2 — CID 3036367

IUPACmethyl N-anilinocarbamodithioate
SMILESCSC(=S)NNc1ccccc1
InChIInChI=1S/C8H10N2S2/c1-12-8(11)10-9-7-5-3-2-4-6-7/h2-6,9H,1H3,(H,10,11)
InChIKeySZCVCDOFDCMDRN-UHFFFAOYSA-N
MW198.32 g/mol
LogP2.25
Rot. Bonds2

About methyl N-anilinocarbamodithioate

methyl N-anilinocarbamodithioate (PubChem CID 3036367) has the molecular formula C8H10N2S2 and a molecular weight of 198.32 g/mol. Its IUPAC name is methyl N-anilinocarbamodithioate.

Molecular Properties

Compound Namemethyl N-anilinocarbamodithioate
PubChem CID3036367
Molecular FormulaC8H10N2S2
Molecular Weight198.32 g/mol
Exact Mass198.03
IUPAC Namemethyl N-anilinocarbamodithioate
SMILESCSC(=S)NNc1ccccc1
InChIInChI=1S/C8H10N2S2/c1-12-8(11)10-9-7-5-3-2-4-6-7/h2-6,9H,1H3,(H,10,11)
InChIKeySZCVCDOFDCMDRN-UHFFFAOYSA-N
XLogP2.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
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

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CID 7516
Hydrazobenzene
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CID 60962
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CID 657262
Carbonothioic dihydrazide, 2,2'-diphenyl-
CID 3032337
1-Phenylthiosemicarbazide
CID 2781094
[(4-Fluorophenyl)amino]thiourea
CID 2782955
N-Methyl-2-phenylhydrazinecarbothioamide
CID 4405145
carbazic acid, dithio-3-phenyl-, ammonium salt
CID 3032688
1-Methyl-2-phenylhydrazine
CID 10197813
Hydrazine, phenyl-, compd. with zinc chloride
CID 28392
Hydrazinecarbodithioic acid, 2-phenyl-
CID 3005602

Frequently Asked Questions

What is the IUPAC name of methyl N-anilinocarbamodithioate?
The IUPAC name of methyl N-anilinocarbamodithioate (CID 3036367) is methyl N-anilinocarbamodithioate.
What is the SMILES notation for methyl N-anilinocarbamodithioate?
The canonical SMILES for methyl N-anilinocarbamodithioate is CSC(=S)NNc1ccccc1.
What is the InChIKey of methyl N-anilinocarbamodithioate?
The InChIKey is SZCVCDOFDCMDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S2/c1-12-8(11)10-9-7-5-3-2-4-6-7/h2-6,9H,1H3,(H,10,11).
What are the key properties of methyl N-anilinocarbamodithioate?
methyl N-anilinocarbamodithioate has a molecular weight of 198.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-anilinocarbamodithioate is sourced from PubChem (CID 3036367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).