dimethylcarbamothioic S-acid;N-ethylethanamine

C7H18N2OS — CID 174845481

IUPACdimethylcarbamothioic S-acid;N-ethylethanamine
SMILESCCNCC.CN(C)C(=O)S
InChIInChI=1S/C4H11N.C3H7NOS/c1-3-5-4-2;1-4(2)3(5)6/h5H,3-4H2,1-2H3;1-2H3,(H,5,6)
InChIKeyHHPACOCNTVXYRY-UHFFFAOYSA-N
MW178.30 g/mol
LogP1.21
Rot. Bonds2

About dimethylcarbamothioic S-acid;N-ethylethanamine

dimethylcarbamothioic S-acid;N-ethylethanamine (PubChem CID 174845481) has the molecular formula C7H18N2OS and a molecular weight of 178.30 g/mol. Its IUPAC name is dimethylcarbamothioic S-acid;N-ethylethanamine.

Molecular Properties

Compound Namedimethylcarbamothioic S-acid;N-ethylethanamine
PubChem CID174845481
Molecular FormulaC7H18N2OS
Molecular Weight178.30 g/mol
Exact Mass178.11
IUPAC Namedimethylcarbamothioic S-acid;N-ethylethanamine
SMILESCCNCC.CN(C)C(=O)S
InChIInChI=1S/C4H11N.C3H7NOS/c1-3-5-4-2;1-4(2)3(5)6/h5H,3-4H2,1-2H3;1-2H3,(H,5,6)
InChIKeyHHPACOCNTVXYRY-UHFFFAOYSA-N
XLogP1.21
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
CID 71309791
acetic acid;N-ethylethanamine;methanol;hydrate
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N-ethylethanamine;propanamide
CID 172821181
N-ethylethanamine;oxoiron
CID 175322821
benzene;carbamothioic S-acid;dimethylcarbamothioic S-acid;pentane
CID 173458823
4-(ethylamino)-N,N-dimethylbutanamide
CID 3024993
diethylcarbamodithioic acid;N-ethylethanamine
CID 15201
dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;N-ethylethanamine
CID 174654493
N,N-dichloromethanamine;N-ethylethanamine;hydrochloride
CID 174965794
calcium;N-ethylethanamine;hydride;propanoic acid
CID 174663325

Frequently Asked Questions

What is the IUPAC name of dimethylcarbamothioic S-acid;N-ethylethanamine?
The IUPAC name of dimethylcarbamothioic S-acid;N-ethylethanamine (CID 174845481) is dimethylcarbamothioic S-acid;N-ethylethanamine.
What is the SMILES notation for dimethylcarbamothioic S-acid;N-ethylethanamine?
The canonical SMILES for dimethylcarbamothioic S-acid;N-ethylethanamine is CCNCC.CN(C)C(=O)S.
What is the InChIKey of dimethylcarbamothioic S-acid;N-ethylethanamine?
The InChIKey is HHPACOCNTVXYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C3H7NOS/c1-3-5-4-2;1-4(2)3(5)6/h5H,3-4H2,1-2H3;1-2H3,(H,5,6).
What are the key properties of dimethylcarbamothioic S-acid;N-ethylethanamine?
dimethylcarbamothioic S-acid;N-ethylethanamine has a molecular weight of 178.30 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylcarbamothioic S-acid;N-ethylethanamine is sourced from PubChem (CID 174845481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).