O-(ethylaminomethyl) carbamothioate

C4H10N2OS — CID 174615487

IUPACO-(ethylaminomethyl) carbamothioate
SMILESCCNCOC(N)=S
InChIInChI=1S/C4H10N2OS/c1-2-6-3-7-4(5)8/h6H,2-3H2,1H3,(H2,5,8)
InChIKeyUDUAOSSPBZGCGA-UHFFFAOYSA-N
MW134.20 g/mol
LogP-0.19
Rot. Bonds3

About O-(ethylaminomethyl) carbamothioate

O-(ethylaminomethyl) carbamothioate (PubChem CID 174615487) has the molecular formula C4H10N2OS and a molecular weight of 134.20 g/mol. Its IUPAC name is O-(ethylaminomethyl) carbamothioate.

Molecular Properties

Compound NameO-(ethylaminomethyl) carbamothioate
PubChem CID174615487
Molecular FormulaC4H10N2OS
Molecular Weight134.20 g/mol
Exact Mass134.05
IUPAC NameO-(ethylaminomethyl) carbamothioate
SMILESCCNCOC(N)=S
InChIInChI=1S/C4H10N2OS/c1-2-6-3-7-4(5)8/h6H,2-3H2,1H3,(H2,5,8)
InChIKeyUDUAOSSPBZGCGA-UHFFFAOYSA-N
XLogP-0.19
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-ethylethanamine;manganese(2+);dicarbamodithioate
CID 158567550
carbamodithioic acid;2-(ethylamino)ethanol
CID 174237242
iron;bis(O-methyl carbamothioate)
CID 87395326
O-(carbamothioyloxymethyl) carbamothioate
CID 88710252
bismuthane;bis(O-methyl carbamothioate)
CID 172996022
azane;O-methyl carbamothioate
CID 162314519
N-ethylethanamine;methane;phosphane
CID 174671169
tetrakis(N-ethylethanamine);phosphane;hydrobromide
CID 175008445
O-ethyl N-ethylcarbamothioate;silver
CID 166748918
azane;ethylthiourea
CID 175294002
N-ethylethanamine;propanamide
CID 172821181
N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
CID 71309791

Frequently Asked Questions

What is the IUPAC name of O-(ethylaminomethyl) carbamothioate?
The IUPAC name of O-(ethylaminomethyl) carbamothioate (CID 174615487) is O-(ethylaminomethyl) carbamothioate.
What is the SMILES notation for O-(ethylaminomethyl) carbamothioate?
The canonical SMILES for O-(ethylaminomethyl) carbamothioate is CCNCOC(N)=S.
What is the InChIKey of O-(ethylaminomethyl) carbamothioate?
The InChIKey is UDUAOSSPBZGCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2OS/c1-2-6-3-7-4(5)8/h6H,2-3H2,1H3,(H2,5,8).
What are the key properties of O-(ethylaminomethyl) carbamothioate?
O-(ethylaminomethyl) carbamothioate has a molecular weight of 134.20 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(ethylaminomethyl) carbamothioate is sourced from PubChem (CID 174615487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).