methyl N-amino-N-phenylcarbamodithioate

C8H10N2S2 — CID 572457

IUPACmethyl N-amino-N-phenylcarbamodithioate
SMILESCSC(=S)N(N)c1ccccc1
InChIInChI=1S/C8H10N2S2/c1-12-8(11)10(9)7-5-3-2-4-6-7/h2-6H,9H2,1H3
InChIKeyGQNVUPCGNGAPNW-UHFFFAOYSA-N
MW198.32 g/mol
LogP2.01
Rot. Bonds1

About methyl N-amino-N-phenylcarbamodithioate

methyl N-amino-N-phenylcarbamodithioate (PubChem CID 572457) has the molecular formula C8H10N2S2 and a molecular weight of 198.32 g/mol. Its IUPAC name is methyl N-amino-N-phenylcarbamodithioate.

Molecular Properties

Compound Namemethyl N-amino-N-phenylcarbamodithioate
PubChem CID572457
Molecular FormulaC8H10N2S2
Molecular Weight198.32 g/mol
Exact Mass198.03
IUPAC Namemethyl N-amino-N-phenylcarbamodithioate
SMILESCSC(=S)N(N)c1ccccc1
InChIInChI=1S/C8H10N2S2/c1-12-8(11)10(9)7-5-3-2-4-6-7/h2-6H,9H2,1H3
InChIKeyGQNVUPCGNGAPNW-UHFFFAOYSA-N
XLogP2.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-amino-N-phenylcarbamodithioate?
The IUPAC name of methyl N-amino-N-phenylcarbamodithioate (CID 572457) is methyl N-amino-N-phenylcarbamodithioate.
What is the SMILES notation for methyl N-amino-N-phenylcarbamodithioate?
The canonical SMILES for methyl N-amino-N-phenylcarbamodithioate is CSC(=S)N(N)c1ccccc1.
What is the InChIKey of methyl N-amino-N-phenylcarbamodithioate?
The InChIKey is GQNVUPCGNGAPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S2/c1-12-8(11)10(9)7-5-3-2-4-6-7/h2-6H,9H2,1H3.
What are the key properties of methyl N-amino-N-phenylcarbamodithioate?
methyl N-amino-N-phenylcarbamodithioate has a molecular weight of 198.32 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-amino-N-phenylcarbamodithioate is sourced from PubChem (CID 572457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).