butyl N,N-dipropylcarbamodithioate

C11H23NS2 — CID 524152

IUPACbutyl N,N-dipropylcarbamodithioate
SMILESCCCCSC(=S)N(CCC)CCC
InChIInChI=1S/C11H23NS2/c1-4-7-10-14-11(13)12(8-5-2)9-6-3/h4-10H2,1-3H3
InChIKeyNEGRKPXTVRFKNK-UHFFFAOYSA-N
MW233.45 g/mol
LogP3.93
Rot. Bonds7

About butyl N,N-dipropylcarbamodithioate

butyl N,N-dipropylcarbamodithioate (PubChem CID 524152) has the molecular formula C11H23NS2 and a molecular weight of 233.45 g/mol. Its IUPAC name is butyl N,N-dipropylcarbamodithioate.

Molecular Properties

Compound Namebutyl N,N-dipropylcarbamodithioate
PubChem CID524152
Molecular FormulaC11H23NS2
Molecular Weight233.45 g/mol
Exact Mass233.13
IUPAC Namebutyl N,N-dipropylcarbamodithioate
SMILESCCCCSC(=S)N(CCC)CCC
InChIInChI=1S/C11H23NS2/c1-4-7-10-14-11(13)12(8-5-2)9-6-3/h4-10H2,1-3H3
InChIKeyNEGRKPXTVRFKNK-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 519628
CID 519628
CID 3086833
CID 3086833
CID 3086834
CID 3086834
CID 44550866
CID 44550866
CID 328287
CID 328287
CID 146526
CID 146526
CID 519629
CID 519629
CID 519630
CID 519630
CID 520897
CID 520897
CID 521061
CID 521061
CID 373738
CID 373738
CID 373739
CID 373739

Frequently Asked Questions

What is the IUPAC name of butyl N,N-dipropylcarbamodithioate?
The IUPAC name of butyl N,N-dipropylcarbamodithioate (CID 524152) is butyl N,N-dipropylcarbamodithioate.
What is the SMILES notation for butyl N,N-dipropylcarbamodithioate?
The canonical SMILES for butyl N,N-dipropylcarbamodithioate is CCCCSC(=S)N(CCC)CCC.
What is the InChIKey of butyl N,N-dipropylcarbamodithioate?
The InChIKey is NEGRKPXTVRFKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS2/c1-4-7-10-14-11(13)12(8-5-2)9-6-3/h4-10H2,1-3H3.
What are the key properties of butyl N,N-dipropylcarbamodithioate?
butyl N,N-dipropylcarbamodithioate has a molecular weight of 233.45 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N,N-dipropylcarbamodithioate is sourced from PubChem (CID 524152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).