benzenethiol;morpholine

C10H15NOS — CID 174981948

IUPACbenzenethiol;morpholine
SMILESC1COCCN1.Sc1ccccc1
InChIInChI=1S/C6H6S.C4H9NO/c7-6-4-2-1-3-5-6;1-3-6-4-2-5-1/h1-5,7H;5H,1-4H2
InChIKeyTUVLLSMGDFQOCC-UHFFFAOYSA-N
MW197.30 g/mol
LogP1.58
Rot. Bonds

About benzenethiol;morpholine

benzenethiol;morpholine (PubChem CID 174981948) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is benzenethiol;morpholine.

Molecular Properties

Compound Namebenzenethiol;morpholine
PubChem CID174981948
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Namebenzenethiol;morpholine
SMILESC1COCCN1.Sc1ccccc1
InChIInChI=1S/C6H6S.C4H9NO/c7-6-4-2-1-3-5-6;1-3-6-4-2-5-1/h1-5,7H;5H,1-4H2
InChIKeyTUVLLSMGDFQOCC-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Phenylsulfonimidoyl)morpholine
CID 66572237
Phenylsulfanyl morpholine-4-carbodithioate
CID 90673304
N-(4-fluorophenylthio)morpholine
CID 26794754
4-(Phenylsulfinyl)morpholine
CID 12002995
4-(Phenylthio)morpholine
CID 12367071
Benzenesulfonic acid;morpholine
CID 19828077
Benzenesulfonate;morpholin-4-ium
CID 141001169
4-(2-Phenylsulfanylethyl)morpholin-4-ium
CID 3715242
2-(4-Fluorophenyl)sulfanylmorpholine
CID 117034166
3-(4-Fluorophenyl)sulfanylmorpholine
CID 117034210
3-[(4-Fluorophenyl)sulfanylmethyl]morpholine
CID 117034334
3-Methyl-4-phenylsulfanylmorpholine
CID 21364461

Frequently Asked Questions

What is the IUPAC name of benzenethiol;morpholine?
The IUPAC name of benzenethiol;morpholine (CID 174981948) is benzenethiol;morpholine.
What is the SMILES notation for benzenethiol;morpholine?
The canonical SMILES for benzenethiol;morpholine is C1COCCN1.Sc1ccccc1.
What is the InChIKey of benzenethiol;morpholine?
The InChIKey is TUVLLSMGDFQOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6S.C4H9NO/c7-6-4-2-1-3-5-6;1-3-6-4-2-5-1/h1-5,7H;5H,1-4H2.
What are the key properties of benzenethiol;morpholine?
benzenethiol;morpholine has a molecular weight of 197.30 g/mol, XLogP of 1.58, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzenethiol;morpholine is sourced from PubChem (CID 174981948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).