(2S)-1-(diethylamino)propane-2-thiol

C7H17NS — CID 13089884

IUPAC(2S)-1-(diethylamino)propane-2-thiol
SMILESCCN(CC)C[C@H](C)S
InChIInChI=1S/C7H17NS/c1-4-8(5-2)6-7(3)9/h7,9H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyXXTFVCXEEVMYNL-ZETCQYMHSA-N
MW147.29 g/mol
LogP1.65
Rot. Bonds4

About (2S)-1-(diethylamino)propane-2-thiol

(2S)-1-(diethylamino)propane-2-thiol (PubChem CID 13089884) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is (2S)-1-(diethylamino)propane-2-thiol.

Molecular Properties

Compound Name(2S)-1-(diethylamino)propane-2-thiol
PubChem CID13089884
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC Name(2S)-1-(diethylamino)propane-2-thiol
SMILESCCN(CC)C[C@H](C)S
InChIInChI=1S/C7H17NS/c1-4-8(5-2)6-7(3)9/h7,9H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyXXTFVCXEEVMYNL-ZETCQYMHSA-N
XLogP1.65
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Diethylamino)ethanethiol
CID 16032
Ethanethiol, 2-(diethylamino)-, hydrochloride (1:1)
CID 16031
N,N-(2-dipropylamino)ethanethiol
CID 79922
Diisopropylaminoethanethiol
CID 111102
3-(Diethylamino)-1-propanethiol
CID 97088
2-(Dibutylamino)ethanethiol
CID 79923
Ethanethiol, 2-(diisobutylamino)-
CID 79924
1-Propanethiol, 3-(dibutylamino)-
CID 3058095
3-(Dimethylamino)-1-propanethiol
CID 3016998
Ammonium, diethyl(2-mercaptoethyl)methyl-, iodide
CID 48028
3-(Dimethylamino)propane-1-thiol hydrochloride
CID 12947129
4-(Dimethylamino)butane-1-thiol
CID 19031556

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(diethylamino)propane-2-thiol?
The IUPAC name of (2S)-1-(diethylamino)propane-2-thiol (CID 13089884) is (2S)-1-(diethylamino)propane-2-thiol.
What is the SMILES notation for (2S)-1-(diethylamino)propane-2-thiol?
The canonical SMILES for (2S)-1-(diethylamino)propane-2-thiol is CCN(CC)C[C@H](C)S.
What is the InChIKey of (2S)-1-(diethylamino)propane-2-thiol?
The InChIKey is XXTFVCXEEVMYNL-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H17NS/c1-4-8(5-2)6-7(3)9/h7,9H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-1-(diethylamino)propane-2-thiol?
(2S)-1-(diethylamino)propane-2-thiol has a molecular weight of 147.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(diethylamino)propane-2-thiol is sourced from PubChem (CID 13089884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).