(Z)-2-(diethylamino)prop-1-ene-1-thiol

C7H15NS — CID 143723804

IUPAC(Z)-2-(diethylamino)prop-1-ene-1-thiol
SMILESCCN(CC)/C(C)=C\S
InChIInChI=1S/C7H15NS/c1-4-8(5-2)7(3)6-9/h6,9H,4-5H2,1-3H3/b7-6-
InChIKeyQKFJQSIMMDDLKH-SREVYHEPSA-N
MW145.27 g/mol
LogP2.12
Rot. Bonds3

About (Z)-2-(diethylamino)prop-1-ene-1-thiol

(Z)-2-(diethylamino)prop-1-ene-1-thiol (PubChem CID 143723804) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is (Z)-2-(diethylamino)prop-1-ene-1-thiol.

Molecular Properties

Compound Name(Z)-2-(diethylamino)prop-1-ene-1-thiol
PubChem CID143723804
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name(Z)-2-(diethylamino)prop-1-ene-1-thiol
SMILESCCN(CC)/C(C)=C\S
InChIInChI=1S/C7H15NS/c1-4-8(5-2)7(3)6-9/h6,9H,4-5H2,1-3H3/b7-6-
InChIKeyQKFJQSIMMDDLKH-SREVYHEPSA-N
XLogP2.12
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(diethylamino)prop-1-ene-1-thiol?
The IUPAC name of (Z)-2-(diethylamino)prop-1-ene-1-thiol (CID 143723804) is (Z)-2-(diethylamino)prop-1-ene-1-thiol.
What is the SMILES notation for (Z)-2-(diethylamino)prop-1-ene-1-thiol?
The canonical SMILES for (Z)-2-(diethylamino)prop-1-ene-1-thiol is CCN(CC)/C(C)=C\S.
What is the InChIKey of (Z)-2-(diethylamino)prop-1-ene-1-thiol?
The InChIKey is QKFJQSIMMDDLKH-SREVYHEPSA-N. The full InChI is InChI=1S/C7H15NS/c1-4-8(5-2)7(3)6-9/h6,9H,4-5H2,1-3H3/b7-6-.
What are the key properties of (Z)-2-(diethylamino)prop-1-ene-1-thiol?
(Z)-2-(diethylamino)prop-1-ene-1-thiol has a molecular weight of 145.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(diethylamino)prop-1-ene-1-thiol is sourced from PubChem (CID 143723804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).