U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula 2CH3O4S.Ca
Molecular Weight 262.272
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM METHYL SULFATE

SMILES

[Ca++].COS([O-])(=O)=O.COS([O-])(=O)=O

InChI

InChIKey=XITILXPZDWIFJD-UHFFFAOYSA-L
InChI=1S/2CH4O4S.Ca/c2*1-5-6(2,3)4;/h2*1H3,(H,2,3,4);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula CH3O4S
Molecular Weight 111.097
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:04:55 GMT 2023
Edited
by admin
on Sat Dec 16 09:04:55 GMT 2023
Record UNII
ZT0BKP30FU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM METHYL SULFATE
Systematic Name English
CALCIUM MONOMETHYL SULFATE
Systematic Name English
SULFURIC ACID, MONOMETHYL ESTER, CALCIUM SALT (2:1)
Systematic Name English
METHYL SULFATE CALCIUM SALT [MI]
Common Name English
Code System Code Type Description
PUBCHEM
72721248
Created by admin on Sat Dec 16 09:04:55 GMT 2023 , Edited by admin on Sat Dec 16 09:04:55 GMT 2023
PRIMARY
FDA UNII
ZT0BKP30FU
Created by admin on Sat Dec 16 09:04:55 GMT 2023 , Edited by admin on Sat Dec 16 09:04:55 GMT 2023
PRIMARY
MERCK INDEX
m7465
Created by admin on Sat Dec 16 09:04:55 GMT 2023 , Edited by admin on Sat Dec 16 09:04:55 GMT 2023
PRIMARY Merck Index
CAS
563-33-7
Created by admin on Sat Dec 16 09:04:55 GMT 2023 , Edited by admin on Sat Dec 16 09:04:55 GMT 2023
PRIMARY