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Details

Stereochemistry RACEMIC
Molecular Formula C4H10S
Molecular Weight 90.187
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-BUTANETHIOL

SMILES

CCC(C)S

InChI

InChIKey=LOCHFZBWPCLPAN-UHFFFAOYSA-N
InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Transferable potentials for phase equilibria. 8. United-atom description for thiols, sulfides, disulfides, and thiophene.
2005 Dec 22
Patents
Name Type Language
2-BUTANETHIOL
Systematic Name English
2-BUTYLMERCAPTAN
Systematic Name English
3-METHYL-2-PROPANETHIOL
Systematic Name English
NSC-78417
Code English
BUTANE-2-THIOL
Systematic Name English
2-MERCAPTOBUTANE
Systematic Name English
SEC-BUTYL THIOL
Systematic Name English
SEC-BUTYL MERCAPTAN [HSDB]
Common Name English
SEC-BUTYL THIOALCOHOL
Systematic Name English
2-BUTANETHIOL, (±)-
Systematic Name English
2-BUTYL MERCAPTAN
Systematic Name English
SEC-BUTANETHIOL
Systematic Name English
SEC-BUTYL MERCAPTAN [MI]
Common Name English
1-METHYL-1-PROPANETHIOL
Systematic Name English
SECONDARY BUTYLMERCAPTAN
Common Name English
Code System Code Type Description
CAS
513-53-1
Created by admin on Sat Dec 16 08:57:18 GMT 2023 , Edited by admin on Sat Dec 16 08:57:18 GMT 2023
PRIMARY
HSDB
1610
Created by admin on Sat Dec 16 08:57:18 GMT 2023 , Edited by admin on Sat Dec 16 08:57:18 GMT 2023
PRIMARY
FDA UNII
Y2D731QBYN
Created by admin on Sat Dec 16 08:57:18 GMT 2023 , Edited by admin on Sat Dec 16 08:57:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID1041396
Created by admin on Sat Dec 16 08:57:18 GMT 2023 , Edited by admin on Sat Dec 16 08:57:18 GMT 2023
PRIMARY
ECHA (EC/EINECS)
208-165-2
Created by admin on Sat Dec 16 08:57:18 GMT 2023 , Edited by admin on Sat Dec 16 08:57:18 GMT 2023
PRIMARY
NSC
78417
Created by admin on Sat Dec 16 08:57:18 GMT 2023 , Edited by admin on Sat Dec 16 08:57:18 GMT 2023
PRIMARY
PUBCHEM
10560
Created by admin on Sat Dec 16 08:57:18 GMT 2023 , Edited by admin on Sat Dec 16 08:57:18 GMT 2023
PRIMARY
MERCK INDEX
m2851
Created by admin on Sat Dec 16 08:57:18 GMT 2023 , Edited by admin on Sat Dec 16 08:57:18 GMT 2023
PRIMARY Merck Index