2-[1-[(Z)-but-2-en-2-yl]sulfanylethenylsulfanyl]-N,N-dimethylethanamine

C10H19NS2 — CID 143016956

IUPAC2-[1-[(Z)-but-2-en-2-yl]sulfanylethenylsulfanyl]-N,N-dimethylethanamine
SMILESC=C(SCCN(C)C)S/C(C)=C\C
InChIInChI=1S/C10H19NS2/c1-6-9(2)13-10(3)12-8-7-11(4)5/h6H,3,7-8H2,1-2,4-5H3/b9-6-
InChIKeyFHPRYFQABGZALD-TWGQIWQCSA-N
MW217.40 g/mol
LogP3.41
Rot. Bonds6

About 2-[1-[(Z)-but-2-en-2-yl]sulfanylethenylsulfanyl]-N,N-dimethylethanamine

2-[1-[(Z)-but-2-en-2-yl]sulfanylethenylsulfanyl]-N,N-dimethylethanamine (PubChem CID 143016956) has the molecular formula C10H19NS2 and a molecular weight of 217.40 g/mol. Its IUPAC name is 2-[1-[(Z)-but-2-en-2-yl]sulfanylethenylsulfanyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-[(Z)-but-2-en-2-yl]sulfanylethenylsulfanyl]-N,N-dimethylethanamine
PubChem CID143016956
Molecular FormulaC10H19NS2
Molecular Weight217.40 g/mol
Exact Mass217.10
IUPAC Name2-[1-[(Z)-but-2-en-2-yl]sulfanylethenylsulfanyl]-N,N-dimethylethanamine
SMILESC=C(SCCN(C)C)S/C(C)=C\C
InChIInChI=1S/C10H19NS2/c1-6-9(2)13-10(3)12-8-7-11(4)5/h6H,3,7-8H2,1-2,4-5H3/b9-6-
InChIKeyFHPRYFQABGZALD-TWGQIWQCSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N,N-dimethyl-3-propan-2-ylsulfanylprop-2-en-1-amine
CID 167047707
(E)-3-[ethyl(dimethyl)-lambda4-sulfanyl]-N,N-dimethylprop-2-en-1-amine
CID 174286816
N,N-diethyl-3,3-bis(ethylsulfanyl)prop-2-en-1-amine
CID 10911463
3,3-bis(ethylsulfanyl)-N,N-dimethylprop-2-en-1-amine
CID 10965650
3,3-bis(ethylsulfanyl)-N,N-bis(prop-2-enyl)prop-2-en-1-amine
CID 11032546
4-[2-(Diethylamino)ethylsulfanyl]but-2-ene-1-thiol
CID 80032975
4-[2-(Dimethylamino)ethylsulfanyl]but-2-ene-1-thiol
CID 80343494
(E)-4-[methyl(2-methylsulfanylethyl)amino]but-2-ene-1-thiol
CID 112667510
(Z)-N,N-dimethyl-2,3-bis(propan-2-ylsulfanyl)prop-2-en-1-amine
CID 121006465
(E)-N-methyl-N-(2-methylsulfanylethyl)but-2-en-1-amine
CID 133620194

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(Z)-but-2-en-2-yl]sulfanylethenylsulfanyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-[(Z)-but-2-en-2-yl]sulfanylethenylsulfanyl]-N,N-dimethylethanamine (CID 143016956) is 2-[1-[(Z)-but-2-en-2-yl]sulfanylethenylsulfanyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-[(Z)-but-2-en-2-yl]sulfanylethenylsulfanyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-[(Z)-but-2-en-2-yl]sulfanylethenylsulfanyl]-N,N-dimethylethanamine is C=C(SCCN(C)C)S/C(C)=C\C.
What is the InChIKey of 2-[1-[(Z)-but-2-en-2-yl]sulfanylethenylsulfanyl]-N,N-dimethylethanamine?
The InChIKey is FHPRYFQABGZALD-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H19NS2/c1-6-9(2)13-10(3)12-8-7-11(4)5/h6H,3,7-8H2,1-2,4-5H3/b9-6-.
What are the key properties of 2-[1-[(Z)-but-2-en-2-yl]sulfanylethenylsulfanyl]-N,N-dimethylethanamine?
2-[1-[(Z)-but-2-en-2-yl]sulfanylethenylsulfanyl]-N,N-dimethylethanamine has a molecular weight of 217.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(Z)-but-2-en-2-yl]sulfanylethenylsulfanyl]-N,N-dimethylethanamine is sourced from PubChem (CID 143016956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).