methyl N,N-dibutylcarbamodithioate

C10H21NS2 — CID 520897

IUPACmethyl N,N-dibutylcarbamodithioate
SMILESCCCCN(CCCC)C(=S)SC
InChIInChI=1S/C10H21NS2/c1-4-6-8-11(9-7-5-2)10(12)13-3/h4-9H2,1-3H3
InChIKeyRTBHUIONIQBBGN-UHFFFAOYSA-N
MW219.42 g/mol
LogP3.54
Rot. Bonds6

About methyl N,N-dibutylcarbamodithioate

methyl N,N-dibutylcarbamodithioate (PubChem CID 520897) has the molecular formula C10H21NS2 and a molecular weight of 219.42 g/mol. Its IUPAC name is methyl N,N-dibutylcarbamodithioate.

Molecular Properties

Compound Namemethyl N,N-dibutylcarbamodithioate
PubChem CID520897
Molecular FormulaC10H21NS2
Molecular Weight219.42 g/mol
Exact Mass219.11
IUPAC Namemethyl N,N-dibutylcarbamodithioate
SMILESCCCCN(CCCC)C(=S)SC
InChIInChI=1S/C10H21NS2/c1-4-6-8-11(9-7-5-2)10(12)13-3/h4-9H2,1-3H3
InChIKeyRTBHUIONIQBBGN-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N,N-dibutylcarbamodithioate?
The IUPAC name of methyl N,N-dibutylcarbamodithioate (CID 520897) is methyl N,N-dibutylcarbamodithioate.
What is the SMILES notation for methyl N,N-dibutylcarbamodithioate?
The canonical SMILES for methyl N,N-dibutylcarbamodithioate is CCCCN(CCCC)C(=S)SC.
What is the InChIKey of methyl N,N-dibutylcarbamodithioate?
The InChIKey is RTBHUIONIQBBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS2/c1-4-6-8-11(9-7-5-2)10(12)13-3/h4-9H2,1-3H3.
What are the key properties of methyl N,N-dibutylcarbamodithioate?
methyl N,N-dibutylcarbamodithioate has a molecular weight of 219.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N-dibutylcarbamodithioate is sourced from PubChem (CID 520897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).