amino(ethylamino)methanethiol

C3H10N2S — CID 5257678

IUPACamino(ethylamino)methanethiol
SMILESCCNC(N)S
InChIInChI=1S/C3H10N2S/c1-2-5-3(4)6/h3,5-6H,2,4H2,1H3
InChIKeyKWPAOYVGLVSERZ-UHFFFAOYSA-N
MW106.19 g/mol
LogP-0.23
Rot. Bonds2

About amino(ethylamino)methanethiol

amino(ethylamino)methanethiol (PubChem CID 5257678) has the molecular formula C3H10N2S and a molecular weight of 106.19 g/mol. Its IUPAC name is amino(ethylamino)methanethiol.

Molecular Properties

Compound Nameamino(ethylamino)methanethiol
PubChem CID5257678
Molecular FormulaC3H10N2S
Molecular Weight106.19 g/mol
Exact Mass106.06
IUPAC Nameamino(ethylamino)methanethiol
SMILESCCNC(N)S
InChIInChI=1S/C3H10N2S/c1-2-5-3(4)6/h3,5-6H,2,4H2,1H3
InChIKeyKWPAOYVGLVSERZ-UHFFFAOYSA-N
XLogP-0.23
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-1-(ethylamino)propan-1-ol
CID 142837227
3-(ethylamino)pentane-2-thiol
CID 55286178
2-diethoxysilyl-1-N'-ethylethane-1,1-diamine
CID 173004236
N-ethyl-3,5-dimethylheptan-4-amine
CID 79446924
2-N-ethyl-3-methylpentane-1,2-diamine
CID 62066397
3-(ethylamino)butanamide
CID 18792210
N-ethyl-2-[2-(ethylamino)-2-oxo-1-sulfanylethoxy]-2-sulfanylacetamide
CID 86068341
1-N,1-N'-diethylethane-1,1-diamine;molecular iodine
CID 162034687
(1R)-N-ethyl-1-phosphanylethanamine
CID 121458893
propan-2-yl (2S)-2-(ethylamino)propanoate
CID 134571850
1-N'-tert-butyl-1-N-ethyl-2-methylbutane-1,1-diamine
CID 154626296
(2R)-3-(ethylamino)-2-[[(2R)-2-(ethylamino)-3-sulfanylpropyl]amino]propane-1-thiol
CID 134313993

Frequently Asked Questions

What is the IUPAC name of amino(ethylamino)methanethiol?
The IUPAC name of amino(ethylamino)methanethiol (CID 5257678) is amino(ethylamino)methanethiol.
What is the SMILES notation for amino(ethylamino)methanethiol?
The canonical SMILES for amino(ethylamino)methanethiol is CCNC(N)S.
What is the InChIKey of amino(ethylamino)methanethiol?
The InChIKey is KWPAOYVGLVSERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2S/c1-2-5-3(4)6/h3,5-6H,2,4H2,1H3.
What are the key properties of amino(ethylamino)methanethiol?
amino(ethylamino)methanethiol has a molecular weight of 106.19 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino(ethylamino)methanethiol is sourced from PubChem (CID 5257678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).