ethane;(NZ)-N-(thiolan-3-ylidene)hydroxylamine

C6H13NOS — CID 142872841

IUPACethane;(NZ)-N-(thiolan-3-ylidene)hydroxylamine
SMILESCC.O/N=C1/CCSC1
InChIInChI=1S/C4H7NOS.C2H6/c6-5-4-1-2-7-3-4;1-2/h6H,1-3H2;1-2H3/b5-4-;
InChIKeyZZSMNBOSZKJMSK-MKWAYWHRSA-N
MW147.24 g/mol
LogP1.98
Rot. Bonds

About ethane;(NZ)-N-(thiolan-3-ylidene)hydroxylamine

ethane;(NZ)-N-(thiolan-3-ylidene)hydroxylamine (PubChem CID 142872841) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is ethane;(NZ)-N-(thiolan-3-ylidene)hydroxylamine.

Molecular Properties

Compound Nameethane;(NZ)-N-(thiolan-3-ylidene)hydroxylamine
PubChem CID142872841
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Nameethane;(NZ)-N-(thiolan-3-ylidene)hydroxylamine
SMILESCC.O/N=C1/CCSC1
InChIInChI=1S/C4H7NOS.C2H6/c6-5-4-1-2-7-3-4;1-2/h6H,1-3H2;1-2H3/b5-4-;
InChIKeyZZSMNBOSZKJMSK-MKWAYWHRSA-N
XLogP1.98
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Butanone, 3-(methylthio)-, oxime
CID 2794915
3-(Methylsulfanyl)butan-2-one oxime
CID 5712107
3-(Methylthio)butan-2-one oxime
CID 5745504
(NZ)-N-(1-methylsulfanylbutan-2-ylidene)hydroxylamine
CID 6365421
1-(Methylthio)butan-2-one oxime
CID 6432885
Tetrahydrothiophen-3-oneoxime
CID 5708827
Methyl(2-methylthioethyl)ketone oxime
CID 85711716
(NZ)-N-(1-propylsulfanylpropan-2-ylidene)hydroxylamine
CID 135035494
2-Butanone, 1-(methylthio)-, oxime
CID 3016057
Tetrahydrothiophen-3-one oxime
CID 2777413
(NE)-N-(thiolan-3-ylidene)hydroxylamine
CID 5875647
(NE)-N-(4-ethylsulfanylbutan-2-ylidene)hydroxylamine
CID 22562175

Frequently Asked Questions

What is the IUPAC name of ethane;(NZ)-N-(thiolan-3-ylidene)hydroxylamine?
The IUPAC name of ethane;(NZ)-N-(thiolan-3-ylidene)hydroxylamine (CID 142872841) is ethane;(NZ)-N-(thiolan-3-ylidene)hydroxylamine.
What is the SMILES notation for ethane;(NZ)-N-(thiolan-3-ylidene)hydroxylamine?
The canonical SMILES for ethane;(NZ)-N-(thiolan-3-ylidene)hydroxylamine is CC.O/N=C1/CCSC1.
What is the InChIKey of ethane;(NZ)-N-(thiolan-3-ylidene)hydroxylamine?
The InChIKey is ZZSMNBOSZKJMSK-MKWAYWHRSA-N. The full InChI is InChI=1S/C4H7NOS.C2H6/c6-5-4-1-2-7-3-4;1-2/h6H,1-3H2;1-2H3/b5-4-;.
What are the key properties of ethane;(NZ)-N-(thiolan-3-ylidene)hydroxylamine?
ethane;(NZ)-N-(thiolan-3-ylidene)hydroxylamine has a molecular weight of 147.24 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(NZ)-N-(thiolan-3-ylidene)hydroxylamine is sourced from PubChem (CID 142872841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).