1-((1,1-DIMETHYLETHYL)THIO)OCTANE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H26S
Molecular Weight	202.4
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-((1,1-DIMETHYLETHYL)THIO)OCTANE

Structure Search

SMILES

CCCCCCCCSC(C)(C)C

InChI

InChIKey=MNLAIIIKXCPPDU-UHFFFAOYSA-N

InChI=1S/C12H26S/c1-5-6-7-8-9-10-11-13-12(2,3)4/h5-11H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C12H26S
Molecular Weight	202.4
Charge	0
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 19:53:46 GMT 2025` Edited by `admin` on `Tue Apr 01 19:53:46 GMT 2025`
Record UNII	V14HIJ1J46
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-((1,1-DIMETHYLETHYL)THIO)OCTANE

Systematic Name

English

NSC-51018

Preferred Name

English

OCTANE, 1-((1,1-DIMETHYLETHYL)THIO)-

Systematic Name

English

1-OCTYL TERT-BUTYL SULFIDE

Systematic Name

English

OCTYL-TERT-BUTYL SULFIDE

Common Name

English

SULFIDE, TERT-BUTYL OCTYL

Systematic Name

English

Code System Code Type Description

NSC

51018

Created by admin on Tue Apr 01 19:53:46 GMT 2025 , Edited by admin on Tue Apr 01 19:53:46 GMT 2025

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CAS

6044-58-2

Created by admin on Tue Apr 01 19:53:46 GMT 2025 , Edited by admin on Tue Apr 01 19:53:46 GMT 2025

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PUBCHEM

96082

Created by admin on Tue Apr 01 19:53:46 GMT 2025 , Edited by admin on Tue Apr 01 19:53:46 GMT 2025

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FDA UNII

V14HIJ1J46

Created by admin on Tue Apr 01 19:53:46 GMT 2025 , Edited by admin on Tue Apr 01 19:53:46 GMT 2025

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EPA CompTox

DTXSID70209184

Created by admin on Tue Apr 01 19:53:46 GMT 2025 , Edited by admin on Tue Apr 01 19:53:46 GMT 2025

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