pentyl N,N-dimethylcarbamodithioate

C8H17NS2 — CID 174553292

IUPACpentyl N,N-dimethylcarbamodithioate
SMILESCCCCCSC(=S)N(C)C
InChIInChI=1S/C8H17NS2/c1-4-5-6-7-11-8(10)9(2)3/h4-7H2,1-3H3
InChIKeyBOBIKFWTRZBKKY-UHFFFAOYSA-N
MW191.36 g/mol
LogP2.76
Rot. Bonds4

About pentyl N,N-dimethylcarbamodithioate

pentyl N,N-dimethylcarbamodithioate (PubChem CID 174553292) has the molecular formula C8H17NS2 and a molecular weight of 191.36 g/mol. Its IUPAC name is pentyl N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Namepentyl N,N-dimethylcarbamodithioate
PubChem CID174553292
Molecular FormulaC8H17NS2
Molecular Weight191.36 g/mol
Exact Mass191.08
IUPAC Namepentyl N,N-dimethylcarbamodithioate
SMILESCCCCCSC(=S)N(C)C
InChIInChI=1S/C8H17NS2/c1-4-5-6-7-11-8(10)9(2)3/h4-7H2,1-3H3
InChIKeyBOBIKFWTRZBKKY-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.36
LogP ≤ 52.76
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

11-(dimethylcarbamothioylsulfanyl)undecanoic acid
CID 15448416
pentyl ethanedithioate
CID 157162445
heptyl carbamodithioate
CID 3738854
heptyl N,N-bis(2-cyanoethyl)carbamodithioate
CID 5228200
[dimethylamino(nonylsulfanyl)methylidene]-dimethylazanium
CID 87805883
octyl nonanedithioate
CID 3826272
docosyl 2-hydroxyethanedithioate
CID 174514377
sodium dodecylsulfanylmethanedithioic acid
CID 54607026
sodium;hydride;octyl carbamodithioate
CID 175140209
butyl N-butyl-N-(2-hydroxypropyl)carbamodithioate
CID 174602616
octadecyl prop-2-enedithioate
CID 15178433
propyl N-methyl-N-sulfanylcarbamodithioate
CID 174421496

Frequently Asked Questions

What is the IUPAC name of pentyl N,N-dimethylcarbamodithioate?
The IUPAC name of pentyl N,N-dimethylcarbamodithioate (CID 174553292) is pentyl N,N-dimethylcarbamodithioate.
What is the SMILES notation for pentyl N,N-dimethylcarbamodithioate?
The canonical SMILES for pentyl N,N-dimethylcarbamodithioate is CCCCCSC(=S)N(C)C.
What is the InChIKey of pentyl N,N-dimethylcarbamodithioate?
The InChIKey is BOBIKFWTRZBKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS2/c1-4-5-6-7-11-8(10)9(2)3/h4-7H2,1-3H3.
What are the key properties of pentyl N,N-dimethylcarbamodithioate?
pentyl N,N-dimethylcarbamodithioate has a molecular weight of 191.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl N,N-dimethylcarbamodithioate is sourced from PubChem (CID 174553292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).