N-Boc-4-isothiocyanatobutylamine

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H18N2O2S
Molecular Weight	230.327
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of N-Boc-4-isothiocyanatobutylamine

Structure Search

SMILES

CC(C)(C)OC(=O)NCCCCN=C=S

InChI

InChIKey=KWATYFKNNFFFSH-UHFFFAOYSA-N

InChI=1S/C10H18N2O2S/c1-10(2,3)14-9(13)12-7-5-4-6-11-8-15/h4-7H2,1-3H3,(H,12,13)

HIDE SMILES / InChI

Molecular Formula	C10H18N2O2S
Molecular Weight	230.327
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 06:44:50 GMT 2025` Edited by `admin` on `Wed Apr 02 06:44:50 GMT 2025`
Record UNII	DAC8GRE664
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-Boc-4-isothiocyanatobutylamine

Systematic Name

English

Carbamic acid, (4-isothiocyanatobutyl)-, 1,1-dimethylethyl ester

Preferred Name

English

tert-Butyl (4-isothiocyanatobutyl)carbamate

Common Name

English

1,1-Dimethylethyl N-(4-isothiocyanatobutyl)carbamate

Systematic Name

English

Carbamic acid, N-(4-isothiocyanatobutyl)-, 1,1-dimethylethyl ester

Common Name

English

Code System Code Type Description

PUBCHEM

4412564

Created by admin on Wed Apr 02 06:44:50 GMT 2025 , Edited by admin on Wed Apr 02 06:44:50 GMT 2025

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FDA UNII

DAC8GRE664

Created by admin on Wed Apr 02 06:44:50 GMT 2025 , Edited by admin on Wed Apr 02 06:44:50 GMT 2025

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EPA CompTox

DTXSID50402994

Created by admin on Wed Apr 02 06:44:50 GMT 2025 , Edited by admin on Wed Apr 02 06:44:50 GMT 2025

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CAS

247035-47-8

Created by admin on Wed Apr 02 06:44:50 GMT 2025 , Edited by admin on Wed Apr 02 06:44:50 GMT 2025

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