carbamodithioic acid;N',N'-dimethylethane-1,2-diamine

C5H15N3S2 — CID 174232024

IUPACcarbamodithioic acid;N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCN.NC(=S)S
InChIInChI=1S/C4H12N2.CH3NS2/c1-6(2)4-3-5;2-1(3)4/h3-5H2,1-2H3;(H3,2,3,4)
InChIKeyLWORPPRPNVWWPZ-UHFFFAOYSA-N
MW181.33 g/mol
LogP-0.33
Rot. Bonds2

About carbamodithioic acid;N',N'-dimethylethane-1,2-diamine

carbamodithioic acid;N',N'-dimethylethane-1,2-diamine (PubChem CID 174232024) has the molecular formula C5H15N3S2 and a molecular weight of 181.33 g/mol. Its IUPAC name is carbamodithioic acid;N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Namecarbamodithioic acid;N',N'-dimethylethane-1,2-diamine
PubChem CID174232024
Molecular FormulaC5H15N3S2
Molecular Weight181.33 g/mol
Exact Mass181.07
IUPAC Namecarbamodithioic acid;N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCN.NC(=S)S
InChIInChI=1S/C4H12N2.CH3NS2/c1-6(2)4-3-5;2-1(3)4/h3-5H2,1-2H3;(H3,2,3,4)
InChIKeyLWORPPRPNVWWPZ-UHFFFAOYSA-N
XLogP-0.33
TPSA55.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.33
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine
CID 87642302
bis(N',N'-dimethylethane-1,2-diamine);nitrous acid;zinc
CID 6397018
bis(N',N'-dimethylethane-1,2-diamine);nickel(2+);diperchlorate
CID 12057472
bis(N',N'-dimethylethane-1,2-diamine);nickel;bis(nickel(2+));tetrakis(N-oxidohydroxylamine);dihydrate
CID 50934623
N'-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-N'-methylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 23499637
4-(dimethylamino)butanethioamide;hydrochloride
CID 18941076
bis[2-(dimethylamino)ethoxy]methanethione
CID 88923851
bis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride
CID 173033128
carbamodithioic acid;N,N-diethylethanamine
CID 71364945
2-aminoethyl-[2-[bis(dithiocarboxy)amino]ethyl]carbamodithioic acid
CID 87356493
O-[2-(2-aminoethoxy)ethyl] 3-(dimethylamino)propanethioate
CID 23187604
N'-[2-(dimethylamino)ethyl]-N'-ethylethane-1,2-diamine;ethane
CID 143734586

Frequently Asked Questions

What is the IUPAC name of carbamodithioic acid;N',N'-dimethylethane-1,2-diamine?
The IUPAC name of carbamodithioic acid;N',N'-dimethylethane-1,2-diamine (CID 174232024) is carbamodithioic acid;N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for carbamodithioic acid;N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for carbamodithioic acid;N',N'-dimethylethane-1,2-diamine is CN(C)CCN.NC(=S)S.
What is the InChIKey of carbamodithioic acid;N',N'-dimethylethane-1,2-diamine?
The InChIKey is LWORPPRPNVWWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2.CH3NS2/c1-6(2)4-3-5;2-1(3)4/h3-5H2,1-2H3;(H3,2,3,4).
What are the key properties of carbamodithioic acid;N',N'-dimethylethane-1,2-diamine?
carbamodithioic acid;N',N'-dimethylethane-1,2-diamine has a molecular weight of 181.33 g/mol, XLogP of -0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamodithioic acid;N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 174232024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).