N,N-diethylcarbamodithioate

C5H10NS2- — CID 28343

IUPACN,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)[S-]
InChIInChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
InChIKeyLMBWSYZSUOEYSN-UHFFFAOYSA-M
MW148.28 g/mol
LogP1.16
Rot. Bonds2

About N,N-diethylcarbamodithioate

N,N-diethylcarbamodithioate (PubChem CID 28343) has the molecular formula C5H10NS2- and a molecular weight of 148.28 g/mol. Its IUPAC name is N,N-diethylcarbamodithioate.

Molecular Properties

Compound NameN,N-diethylcarbamodithioate
PubChem CID28343
Molecular FormulaC5H10NS2-
Molecular Weight148.28 g/mol
Exact Mass148.03
IUPAC NameN,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)[S-]
InChIInChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
InChIKeyLMBWSYZSUOEYSN-UHFFFAOYSA-M
XLogP1.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.28
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

CID 171395735
CID 171395735
tris(N,N-diethylcarbamodithioate);ruthenium(3+)
CID 101036652
CID 19880505
CID 19880505
bis(N,N-diethylcarbamodithioate);tin(2+);chloride
CID 21124785
bis(N,N-diethylcarbamodithioate);tin(4+);chloride
CID 21124784
tetrakis(N,N-diethylcarbamodithioate);triiodomolybdenum
CID 5149899
zinc;N,N-diethylcarbamodithioate;diethylcarbamodithioic acid
CID 160652871
tetrakis(N,N-diethylcarbamodithioate);oxo(oxomolybdeniooxy)molybdenum;dihydrochloride
CID 10975026
CID 6330230
CID 6330230
CID 6330227
CID 6330227
sodium;N,N-diethylcarbamodithioate;2-phenylethylbenzene
CID 154941220
sodium N,N-dipropylcarbamodithioate
CID 539731

Frequently Asked Questions

What is the IUPAC name of N,N-diethylcarbamodithioate?
The IUPAC name of N,N-diethylcarbamodithioate (CID 28343) is N,N-diethylcarbamodithioate.
What is the SMILES notation for N,N-diethylcarbamodithioate?
The canonical SMILES for N,N-diethylcarbamodithioate is CCN(CC)C(=S)[S-].
What is the InChIKey of N,N-diethylcarbamodithioate?
The InChIKey is LMBWSYZSUOEYSN-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1.
What are the key properties of N,N-diethylcarbamodithioate?
N,N-diethylcarbamodithioate has a molecular weight of 148.28 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylcarbamodithioate is sourced from PubChem (CID 28343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).