2-morpholin-4-ylethanethiol;sulfane

C6H15NOS2 — CID 143821925

IUPAC2-morpholin-4-ylethanethiol;sulfane
SMILESS.SCCN1CCOCC1
InChIInChI=1S/C6H13NOS.H2S/c9-6-3-7-1-4-8-5-2-7;/h9H,1-6H2;1H2
InChIKeyHOKNRUZEZRTAPL-UHFFFAOYSA-N
MW181.33 g/mol
LogP0.36
Rot. Bonds2

About 2-morpholin-4-ylethanethiol;sulfane

2-morpholin-4-ylethanethiol;sulfane (PubChem CID 143821925) has the molecular formula C6H15NOS2 and a molecular weight of 181.33 g/mol. Its IUPAC name is 2-morpholin-4-ylethanethiol;sulfane.

Molecular Properties

Compound Name2-morpholin-4-ylethanethiol;sulfane
PubChem CID143821925
Molecular FormulaC6H15NOS2
Molecular Weight181.33 g/mol
Exact Mass181.06
IUPAC Name2-morpholin-4-ylethanethiol;sulfane
SMILESS.SCCN1CCOCC1
InChIInChI=1S/C6H13NOS.H2S/c9-6-3-7-1-4-8-5-2-7;/h9H,1-6H2;1H2
InChIKeyHOKNRUZEZRTAPL-UHFFFAOYSA-N
XLogP0.36
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.33
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
4-propylmorpholine;hydrobromide
CID 70540609
16-propyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71337150
ethane;4-propylmorpholine
CID 143004992
4-(morpholin-4-ylmethyl)morpholine
CID 21839
N-methyl-2-morpholin-4-ylethanamine;molecular hydrogen
CID 143640277
zinc;N,N-dimethyl-2-morpholin-4-ylethanamine;dichloride
CID 70152362
4-(3-bromopropyl)morpholine
CID 13034048
1,4-oxazepan-4-ylmethanethiol
CID 167082217
4-(2-bromoethyl)morpholine;hydron;chloride
CID 137370689
N,N-diiodo-2-morpholin-4-ylethanamine
CID 129036940

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethanethiol;sulfane?
The IUPAC name of 2-morpholin-4-ylethanethiol;sulfane (CID 143821925) is 2-morpholin-4-ylethanethiol;sulfane.
What is the SMILES notation for 2-morpholin-4-ylethanethiol;sulfane?
The canonical SMILES for 2-morpholin-4-ylethanethiol;sulfane is S.SCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethanethiol;sulfane?
The InChIKey is HOKNRUZEZRTAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS.H2S/c9-6-3-7-1-4-8-5-2-7;/h9H,1-6H2;1H2.
What are the key properties of 2-morpholin-4-ylethanethiol;sulfane?
2-morpholin-4-ylethanethiol;sulfane has a molecular weight of 181.33 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethanethiol;sulfane is sourced from PubChem (CID 143821925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).