carbamodithioic acid;N,N-diethylethanamine

C7H18N2S2 — CID 71364945

IUPACcarbamodithioic acid;N,N-diethylethanamine
SMILESCCN(CC)CC.NC(=S)S
InChIInChI=1S/C6H15N.CH3NS2/c1-4-7(5-2)6-3;2-1(3)4/h4-6H2,1-3H3;(H3,2,3,4)
InChIKeyQPHMMPRFMVERHL-UHFFFAOYSA-N
MW194.37 g/mol
LogP1.51
Rot. Bonds3

About carbamodithioic acid;N,N-diethylethanamine

carbamodithioic acid;N,N-diethylethanamine (PubChem CID 71364945) has the molecular formula C7H18N2S2 and a molecular weight of 194.37 g/mol. Its IUPAC name is carbamodithioic acid;N,N-diethylethanamine.

Molecular Properties

Compound Namecarbamodithioic acid;N,N-diethylethanamine
PubChem CID71364945
Molecular FormulaC7H18N2S2
Molecular Weight194.37 g/mol
Exact Mass194.09
IUPAC Namecarbamodithioic acid;N,N-diethylethanamine
SMILESCCN(CC)CC.NC(=S)S
InChIInChI=1S/C6H15N.CH3NS2/c1-4-7(5-2)6-3;2-1(3)4/h4-6H2,1-3H3;(H3,2,3,4)
InChIKeyQPHMMPRFMVERHL-UHFFFAOYSA-N
XLogP1.51
TPSA29.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,N-diethylethanamine;ethane
CID 22114990
N,N-diethylethanamine;hydroxylamine;methanol;hydrochloride
CID 173254877
N,N-diethylethanamine;hypochlorous acid
CID 87187871
N,N-diethylethanamine;hypofluorous acid
CID 157218487
N,N-diethylethanamine;palladium(2+)
CID 22219787
CID 175820473
CID 175820473
N,N-diethylethanamine chloride
CID 22292735
bis(N,N-diethylethanamine);dihydrate
CID 173331052
N,N-diethylethanamine;1,1-dimethylhydrazine
CID 87141357
1-[carbamothioyl(ethyl)amino]-1-ethylthiourea
CID 21157249
1-amino-1-[3-(diethylamino)propyl]thiourea
CID 87317226
N,N-diethylethanamine;neodymium(3+);trichloride
CID 173208753

Frequently Asked Questions

What is the IUPAC name of carbamodithioic acid;N,N-diethylethanamine?
The IUPAC name of carbamodithioic acid;N,N-diethylethanamine (CID 71364945) is carbamodithioic acid;N,N-diethylethanamine.
What is the SMILES notation for carbamodithioic acid;N,N-diethylethanamine?
The canonical SMILES for carbamodithioic acid;N,N-diethylethanamine is CCN(CC)CC.NC(=S)S.
What is the InChIKey of carbamodithioic acid;N,N-diethylethanamine?
The InChIKey is QPHMMPRFMVERHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.CH3NS2/c1-4-7(5-2)6-3;2-1(3)4/h4-6H2,1-3H3;(H3,2,3,4).
What are the key properties of carbamodithioic acid;N,N-diethylethanamine?
carbamodithioic acid;N,N-diethylethanamine has a molecular weight of 194.37 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamodithioic acid;N,N-diethylethanamine is sourced from PubChem (CID 71364945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).