methyl N-[4-(2-aminoethoxy)phenyl]carbamodithioate;hydrochloride

C10H15ClN2OS2 — CID 23146063

IUPACmethyl N-[4-(2-aminoethoxy)phenyl]carbamodithioate;hydrochloride
SMILESCSC(=S)Nc1ccc(OCCN)cc1.Cl
InChIInChI=1S/C10H14N2OS2.ClH/c1-15-10(14)12-8-2-4-9(5-3-8)13-7-6-11;/h2-5H,6-7,11H2,1H3,(H,12,14);1H
InChIKeyXMBTXGWYAIRWFZ-UHFFFAOYSA-N
MW278.83 g/mol
LogP2.51
Rot. Bonds4

About methyl N-[4-(2-aminoethoxy)phenyl]carbamodithioate;hydrochloride

methyl N-[4-(2-aminoethoxy)phenyl]carbamodithioate;hydrochloride (PubChem CID 23146063) has the molecular formula C10H15ClN2OS2 and a molecular weight of 278.83 g/mol. Its IUPAC name is methyl N-[4-(2-aminoethoxy)phenyl]carbamodithioate;hydrochloride.

Molecular Properties

Compound Namemethyl N-[4-(2-aminoethoxy)phenyl]carbamodithioate;hydrochloride
PubChem CID23146063
Molecular FormulaC10H15ClN2OS2
Molecular Weight278.83 g/mol
Exact Mass278.03
IUPAC Namemethyl N-[4-(2-aminoethoxy)phenyl]carbamodithioate;hydrochloride
SMILESCSC(=S)Nc1ccc(OCCN)cc1.Cl
InChIInChI=1S/C10H14N2OS2.ClH/c1-15-10(14)12-8-2-4-9(5-3-8)13-7-6-11;/h2-5H,6-7,11H2,1H3,(H,12,14);1H
InChIKeyXMBTXGWYAIRWFZ-UHFFFAOYSA-N
XLogP2.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(4-ethoxyphenyl)carbamodithioate
CID 3032585
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
1-[4-(2-aminoethoxy)phenyl]-3-propylurea
CID 43175658
N-[4-(2-aminoethoxy)phenyl]cyclobutanecarboxamide
CID 43369279
N-[4-(2-aminoethoxy)phenyl]-3,5-dimethylbenzamide
CID 43369278
N-[4-(2-aminoethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830929
N-[4-(2-aminoethoxy)phenyl]-2-methylbenzamide
CID 28754762
N-[4-(2-aminoethoxy)phenyl]pyridine-4-carboxamide
CID 43175490
N-[4-(2-aminoethoxy)phenyl]-4-methylpiperidine-1-carboxamide
CID 79160192
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide
CID 43700453
N-[4-(2-aminoethoxy)phenyl]-2-hydroxy-4-methylbenzamide
CID 43369291
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(2-aminoethoxy)phenyl]carbamodithioate;hydrochloride?
The IUPAC name of methyl N-[4-(2-aminoethoxy)phenyl]carbamodithioate;hydrochloride (CID 23146063) is methyl N-[4-(2-aminoethoxy)phenyl]carbamodithioate;hydrochloride.
What is the SMILES notation for methyl N-[4-(2-aminoethoxy)phenyl]carbamodithioate;hydrochloride?
The canonical SMILES for methyl N-[4-(2-aminoethoxy)phenyl]carbamodithioate;hydrochloride is CSC(=S)Nc1ccc(OCCN)cc1.Cl.
What is the InChIKey of methyl N-[4-(2-aminoethoxy)phenyl]carbamodithioate;hydrochloride?
The InChIKey is XMBTXGWYAIRWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS2.ClH/c1-15-10(14)12-8-2-4-9(5-3-8)13-7-6-11;/h2-5H,6-7,11H2,1H3,(H,12,14);1H.
What are the key properties of methyl N-[4-(2-aminoethoxy)phenyl]carbamodithioate;hydrochloride?
methyl N-[4-(2-aminoethoxy)phenyl]carbamodithioate;hydrochloride has a molecular weight of 278.83 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(2-aminoethoxy)phenyl]carbamodithioate;hydrochloride is sourced from PubChem (CID 23146063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).