Sodium pentyl sulfate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H11O4S.Na
Molecular Weight	190.193
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Sodium pentyl sulfate

Structure Search

SMILES

[Na+].CCCCCOS([O-])(=O)=O

InChI

InChIKey=KLZYTGLGWPHIDV-UHFFFAOYSA-M

InChI=1S/C5H12O4S.Na/c1-2-3-4-5-9-10(6,7)8;/h2-5H2,1H3,(H,6,7,8);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C5H11O4S
Molecular Weight	167.203
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 `Tue Apr 01 20:37:13 GMT 2025` Edited by `admin` on `Tue Apr 01 20:37:13 GMT 2025`
Record UNII	6K6JY4HXE9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sodium pentyl sulfate

Common Name

English

NSC-1114

Preferred Name

English

Sulfuric acid, monopentyl ester, sodium salt (1:1)

Systematic Name

English

Sodium amyl sulfate

Common Name

English

Pentyl sodium sulphate

Common Name

English

Pentyl sodium sulfate

Common Name

English

Code System Code Type Description

CAS

556-76-3

Created by admin on Tue Apr 01 20:37:13 GMT 2025 , Edited by admin on Tue Apr 01 20:37:13 GMT 2025

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ECHA (EC/EINECS)

209-140-9

Created by admin on Tue Apr 01 20:37:13 GMT 2025 , Edited by admin on Tue Apr 01 20:37:13 GMT 2025

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PUBCHEM

23680281

Created by admin on Tue Apr 01 20:37:13 GMT 2025 , Edited by admin on Tue Apr 01 20:37:13 GMT 2025

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EPA CompTox

DTXSID9060310

Created by admin on Tue Apr 01 20:37:13 GMT 2025 , Edited by admin on Tue Apr 01 20:37:13 GMT 2025

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FDA UNII

6K6JY4HXE9

Created by admin on Tue Apr 01 20:37:13 GMT 2025 , Edited by admin on Tue Apr 01 20:37:13 GMT 2025

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NSC

1114

Created by admin on Tue Apr 01 20:37:13 GMT 2025 , Edited by admin on Tue Apr 01 20:37:13 GMT 2025

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