2-MERCAPTOPINANE

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NCATS

Details

Stereochemistry	MIXED
Molecular Formula	C10H18S
Molecular Weight	170.315
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-MERCAPTOPINANE

Structure Search

SMILES

CC1(C)C2CC1C(C)(S)CC2

InChI

InChIKey=ZPUCQOXKFCVYGL-UHFFFAOYSA-N

InChI=1S/C10H18S/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C10H18S
Molecular Weight	170.315
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:57:48 GMT 2025` Edited by `admin` on `Mon Mar 31 19:57:48 GMT 2025`
Record UNII	X21X7U473C
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2-MERCAPTOPINANE

Systematic Name

English

FEMA NO. 3503, 2-MERCAPTO-

Preferred Name

English

BICYCLO(3.1.1)HEPTANE-2-THIOL, 2,6,6-TRIMETHYL-

Systematic Name

English

2-MERCAPTOPINANE, (±)-

Systematic Name

English

(±)-2-MERCAPTOPINANE

Systematic Name

English

NSC-76099

Code

English

2,6,6-TRIMETHYLBICYCLO(3.1.1)HEPTANE-2-THIOL

Systematic Name

English

2-PINANETHIOL

Systematic Name

English

PINANE, 2-MERCAPTO-

Systematic Name

English

Code System Code Type Description

CAS

23832-18-0

Created by admin on Mon Mar 31 19:57:48 GMT 2025 , Edited by admin on Mon Mar 31 19:57:48 GMT 2025

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ECHA (EC/EINECS)

245-900-6

Created by admin on Mon Mar 31 19:57:48 GMT 2025 , Edited by admin on Mon Mar 31 19:57:48 GMT 2025

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PUBCHEM

90984

Created by admin on Mon Mar 31 19:57:48 GMT 2025 , Edited by admin on Mon Mar 31 19:57:48 GMT 2025

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NSC

76099

Created by admin on Mon Mar 31 19:57:48 GMT 2025 , Edited by admin on Mon Mar 31 19:57:48 GMT 2025

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EPA CompTox

DTXSID60865117

Created by admin on Mon Mar 31 19:57:48 GMT 2025 , Edited by admin on Mon Mar 31 19:57:48 GMT 2025

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FDA UNII

X21X7U473C

Created by admin on Mon Mar 31 19:57:48 GMT 2025 , Edited by admin on Mon Mar 31 19:57:48 GMT 2025

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