C1CSCC(=O)N1
CAS: 20196-21-8
Name: thiomorpholin-3-one
SMILES: C1CSCC(=O)N1

Molecular Processing

Molecular formula
C4H7NOS
Molecular weight
117.17
Exact mass
117.0248
XLogP
-0.15
TPSA
29.1
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
7
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
30.33

Supplementary Information

InChIKey: HBDDRESWUAFAHY-UHFFFAOYSA-N
Synonyme
Thiomorpholin-3-one3-ThiomorpholinoneThiomorpholinone1,4-Tetrahydrothiazine-3-one1,4-Thiazinan-3-oneUNII-SK56OUS8CHSK56OUS8CHEINECS 243-581-8NSC 27540BRN 0107799MEXORYL SPNSC-27540DTXSID001740334-27-00-02550 (Beilstein Handbook Reference)RefChem:196833THIOMORPHOLINONE [INCI]DTXCID4096524InChI=1/C4H7NOS/c6-4-3-7-2-1-5-4/h1-3H2,(H,5,620196-21-83-OxothiomorpholineMFCD001528701,4-thiazaperhydroin-3-oneF0848-0336NSC27540SCHEMBL89026SCHEMBL116457SCHEMBL116458SCHEMBL10369835SCHEMBL12483162SCHEMBL16212435
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