2-methoxyethyl(propan-2-yl)carbamodithioic acid

C7H15NOS2 — CID 87357672

IUPAC2-methoxyethyl(propan-2-yl)carbamodithioic acid
SMILESCOCCN(C(=S)S)C(C)C
InChIInChI=1S/C7H15NOS2/c1-6(2)8(7(10)11)4-5-9-3/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyWAWBQDFCTNQJBM-UHFFFAOYSA-N
MW193.34 g/mol
LogP1.56
Rot. Bonds4

About 2-methoxyethyl(propan-2-yl)carbamodithioic acid

2-methoxyethyl(propan-2-yl)carbamodithioic acid (PubChem CID 87357672) has the molecular formula C7H15NOS2 and a molecular weight of 193.34 g/mol. Its IUPAC name is 2-methoxyethyl(propan-2-yl)carbamodithioic acid.

Molecular Properties

Compound Name2-methoxyethyl(propan-2-yl)carbamodithioic acid
PubChem CID87357672
Molecular FormulaC7H15NOS2
Molecular Weight193.34 g/mol
Exact Mass193.06
IUPAC Name2-methoxyethyl(propan-2-yl)carbamodithioic acid
SMILESCOCCN(C(=S)S)C(C)C
InChIInChI=1S/C7H15NOS2/c1-6(2)8(7(10)11)4-5-9-3/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyWAWBQDFCTNQJBM-UHFFFAOYSA-N
XLogP1.56
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
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-(2-methoxyethyl)-N-propan-2-ylcarbamoyl chloride
CID 82966552
3-amino-N-(2-methoxyethyl)-2,2-dimethyl-N-propan-2-yl-3-sulfanylidenepropanamide
CID 82948415
N-(2-methoxyethyl)-3-oxo-N-propan-2-ylbutanamide
CID 82948688
(2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948774
(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948115
4-[2-methoxyethyl(propan-2-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 82948546
(2R)-2-amino-N-(2-methoxyethyl)-N-propan-2-ylbutanamide
CID 82949069
5-[2-methoxyethyl(propan-2-yl)amino]pentanethioamide
CID 82951100
3-methoxy-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 177187385
4-[2-methoxyethyl(propan-2-yl)amino]butan-2-ol
CID 82961213
4-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948012
1-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclobutane-1-carboxamide
CID 82947993

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl(propan-2-yl)carbamodithioic acid?
The IUPAC name of 2-methoxyethyl(propan-2-yl)carbamodithioic acid (CID 87357672) is 2-methoxyethyl(propan-2-yl)carbamodithioic acid.
What is the SMILES notation for 2-methoxyethyl(propan-2-yl)carbamodithioic acid?
The canonical SMILES for 2-methoxyethyl(propan-2-yl)carbamodithioic acid is COCCN(C(=S)S)C(C)C.
What is the InChIKey of 2-methoxyethyl(propan-2-yl)carbamodithioic acid?
The InChIKey is WAWBQDFCTNQJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS2/c1-6(2)8(7(10)11)4-5-9-3/h6H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-methoxyethyl(propan-2-yl)carbamodithioic acid?
2-methoxyethyl(propan-2-yl)carbamodithioic acid has a molecular weight of 193.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl(propan-2-yl)carbamodithioic acid is sourced from PubChem (CID 87357672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).