carbamodithioic acid;2-methoxy-N-methylethanamine

C5H14N2OS2 — CID 174232008

IUPACcarbamodithioic acid;2-methoxy-N-methylethanamine
SMILESCNCCOC.NC(=S)S
InChIInChI=1S/C4H11NO.CH3NS2/c1-5-3-4-6-2;2-1(3)4/h5H,3-4H2,1-2H3;(H3,2,3,4)
InChIKeyFHNHYWLAHAPDJW-UHFFFAOYSA-N
MW182.31 g/mol
LogP0.01
Rot. Bonds3

About carbamodithioic acid;2-methoxy-N-methylethanamine

carbamodithioic acid;2-methoxy-N-methylethanamine (PubChem CID 174232008) has the molecular formula C5H14N2OS2 and a molecular weight of 182.31 g/mol. Its IUPAC name is carbamodithioic acid;2-methoxy-N-methylethanamine.

Molecular Properties

Compound Namecarbamodithioic acid;2-methoxy-N-methylethanamine
PubChem CID174232008
Molecular FormulaC5H14N2OS2
Molecular Weight182.31 g/mol
Exact Mass182.05
IUPAC Namecarbamodithioic acid;2-methoxy-N-methylethanamine
SMILESCNCCOC.NC(=S)S
InChIInChI=1S/C4H11NO.CH3NS2/c1-5-3-4-6-2;2-1(3)4/h5H,3-4H2,1-2H3;(H3,2,3,4)
InChIKeyFHNHYWLAHAPDJW-UHFFFAOYSA-N
XLogP0.01
TPSA47.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methoxy-N-methylethanamine
CID 91504059
methane;2-methoxy-N-methylethanamine
CID 159300149
dichloromethane;2-methoxy-N-methylethanamine
CID 131725176
N'-(2-methoxyethyl)ethanedithioamide
CID 12684688
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 146502176
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 86705991
2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine;1-methoxy-2-(2-methoxyethoxy)ethane
CID 168897586
carbamothioic S-acid;O-methyl N-(3-methoxypropyl)carbamothioate
CID 88720179
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 163400177
2-methoxy-N-methylethanamine;1-methyl-1-(2-methyl-1-oxopropan-2-yl)urea
CID 144998233
2-(methylamino)ethyl 2-methoxyacetate
CID 23093561
2-(2-methoxyethylamino)oxyacetamide
CID 112673653

Frequently Asked Questions

What is the IUPAC name of carbamodithioic acid;2-methoxy-N-methylethanamine?
The IUPAC name of carbamodithioic acid;2-methoxy-N-methylethanamine (CID 174232008) is carbamodithioic acid;2-methoxy-N-methylethanamine.
What is the SMILES notation for carbamodithioic acid;2-methoxy-N-methylethanamine?
The canonical SMILES for carbamodithioic acid;2-methoxy-N-methylethanamine is CNCCOC.NC(=S)S.
What is the InChIKey of carbamodithioic acid;2-methoxy-N-methylethanamine?
The InChIKey is FHNHYWLAHAPDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.CH3NS2/c1-5-3-4-6-2;2-1(3)4/h5H,3-4H2,1-2H3;(H3,2,3,4).
What are the key properties of carbamodithioic acid;2-methoxy-N-methylethanamine?
carbamodithioic acid;2-methoxy-N-methylethanamine has a molecular weight of 182.31 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamodithioic acid;2-methoxy-N-methylethanamine is sourced from PubChem (CID 174232008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).