COC(=O)CSCC(C)=O
CAS: 61363-62-0
Название: methyl 2-(2-oxopropylsulfanyl)acetate
SMILES: COC(=O)CSCC(C)=O

Molecular Processing

Molecular formula
C6H10O3S
Molecular weight
162.21
Exact mass
162.0351
XLogP
0.48
TPSA
43.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
40.02

Supplementary Information

InChIKey: BMYZBKVJSRJYEY-UHFFFAOYSA-N
Синонимы
61363-62-0MS-1254DTXSID80396059RefChem:357952DTXCID80346918methyl 2-[(2-oxopropyl)sulfanyl]acetateAcetic acid, 2-[(2-oxopropyl)thio]-, methyl estermethyl [(2-oxopropyl)sulfanyl]acetatemethyl 2-(2-oxopropylsulfanyl)acetatemethyl 2-acetonylsulfanylacetateSCHEMBL2690145BMYZBKVJSRJYEY-UHFFFAOYSA-Nmethyl 2-(2-oxopropylthio)acetateMFCD00207675AKOS005107688methyl2-[(2-oxopropyl)sulfanyl]acetateDB-114588(2-Oxo-propylsulfanyl)-acetic acid methyl ester
Источник →
Участвует в 7 реакциях→

Расширенный поиск

Поиск подструктуры→Поиск по сходству→